Molecule FYI-1004050

A

Molecule Summary:

ID: FYI-1004050
Names:
InChIKey: YVPIYVNLCIXVFD-UHFFFAOYSA-N
SMILES: O=C%30N(CO)C(=O)C1%32c2c3c4c%31c5c6c(c7c8c1c9c2c%10c%11c3c%12c4c%13c5c%14c%15c6c%16c7c%17c8c%18c9c%19c%10c%20c%11c%21c%12c%22c%13c%14c%23c%24c%15c%16c%25c%17c%26c%18c%19c%27c%20c%28c%21c%22c%23c%29c%24c%25c%26c%27c%28%29)C%30%31%32

Received at FYIcenter.com on: 2023-08-08

Molecule ID: FYI-1004050 Edit

Molecule Structure InChIKey: YVPIYVNLCIXVFD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C%30N(CO)C(=O)C1%32c2c3c4c%31c5c6c(c7c8c1c9c2c%10c%11c3c%12c4c%13c5c%14c%15c6c%16c7c%17c8c%18c9c%19c%10c%20c%11c%21c%12c%22c%13c%14c%23c%24c%15c%16c%25c%17c%26c%18c%19c%27c%20c%28c%21c%22c%23c%29c%24c%25c%26c%27c%28%29)C%30%31%32

Download SDF Download SVG Structure in 2D SDF:

FYI-1004050
FYIcenter.com

 67 98  0  0  0  0  0  0  0  0999 V2000
    2.5170    6.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3336    5.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278    5.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639    5.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    4.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    3.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    4.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    3.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151    2.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    2.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5858    2.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882    3.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    4.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407    5.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    5.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7711    7.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7478    7.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639    8.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5885    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    3.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553    3.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    2.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119    1.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5854    1.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757    2.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093    1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964    1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486    2.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1894    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343    4.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6613    5.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    6.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1886    6.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    6.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4197    5.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    7.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    5.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6649    7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2627    5.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    1.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8173    1.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0924    4.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    3.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8360    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    2.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7133    4.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1677    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5439    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2899    4.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0818    2.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103    3.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2970    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9321    1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238    4.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 24  8  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26  9  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 11  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 12  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 13  1  0  0  0  0
 35 34  1  0  0  0  0
 35 16  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 17  1  0  0  0  0
 39 38  1  0  0  0  0
 39 20  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 42 21  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 45 22  1  0  0  0  0
 46 45  2  0  0  0  0
 46 25  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 48 27  1  0  0  0  0
 49 48  1  0  0  0  0
 49 29  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 52 47  1  0  0  0  0
 52 44  1  0  0  0  0
 53 51  1  0  0  0  0
 54 53  2  0  0  0  0
 54 43  1  0  0  0  0
 55 54  1  0  0  0  0
 55 41  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 58 37  1  0  0  0  0
 58 40  1  0  0  0  0
 59 57  1  0  0  0  0
 60 59  2  0  0  0  0
 60 36  1  0  0  0  0
 60 33  1  0  0  0  0
 61 59  1  0  0  0  0
 62 61  2  0  0  0  0
 62 32  1  0  0  0  0
 63 62  1  0  0  0  0
 63 30  1  0  0  0  0
 64 63  2  0  0  0  0
 64 50  1  0  0  0  0
 65 64  1  0  0  0  0
 65 53  1  0  0  0  0
 66 65  2  0  0  0  0
 66 61  1  0  0  0  0
 66 56  1  0  0  0  0
 67 18  1  0  0  0  0
 67  2  1  0  0  0  0
 67 15  1  0  0  0  0
 67  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004050-3D
FYIcenter.com

 70101  0  0  1  0  0  0  0  0999 V2000
    2.3968    2.9383   -2.3188 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564    2.5978   -3.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8181    1.2044   -2.9864 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317   -0.0383   -1.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316   -1.2708   -2.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    0.9549   -3.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6410    0.0512   -3.8631 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6159    2.0812   -5.4373 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9325    1.8529   -7.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9399    3.8260   -8.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728    5.1523   -6.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259    5.0723   -5.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8476    5.8251   -6.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092    5.1394   -5.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9782    3.9067   -5.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319    2.8623   -5.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    1.3700   -5.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021    0.9613   -5.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137    0.9071   -6.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8097    1.2178   -6.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9765    2.4418   -7.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3624    3.6055   -8.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4331    4.6567   -8.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284    5.8352   -8.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1466    6.2153   -7.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0131    6.8109   -8.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    6.6110   -7.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109    6.6174   -8.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639    5.9178   -8.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    5.2383   -6.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    4.2143   -7.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044    3.0451   -6.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    1.8941   -6.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    1.1566   -6.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554    1.4972   -7.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    1.9679   -6.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570    3.0884   -7.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550    3.0699   -7.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792    2.5760   -8.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0980    3.3889   -9.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3517    4.4293  -10.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535    5.6807  -10.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7368    6.1554  -10.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    6.7928   -9.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    6.6643   -9.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257    5.8955  -10.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698    5.2242  -10.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467    5.2731   -9.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559    4.2218   -8.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381    3.0484   -9.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1637    1.9498   -8.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268    1.4908   -9.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9305    1.9670   -8.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0681    2.6593   -8.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    2.1492   -9.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    2.3183  -10.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.9492  -11.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    4.1814  -11.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957    5.2681  -11.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308    5.1987  -11.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2515    3.9932  -11.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485    4.0688  -11.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826    2.9794  -10.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    1.8408  -10.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337    1.9414  -10.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698    2.8622  -11.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953    3.5494   -4.7085 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7900    0.3083   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584   -0.4686   -1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328   -1.8946   -1.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 67  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 68  1  0  0  0  0
  4 69  1  0  0  0  0
  5 70  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 67  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  2  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  2  0  0  0  0
 15 16  2  0  0  0  0
 15 67  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  2  0  0  0  0
 22 23  1  0  0  0  0
 22 40  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  2  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 51  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 53  2  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 54  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 56  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 58  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 59  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 60  1  0  0  0  0
 47 48  1  0  0  0  0
 47 62  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 63  2  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 52 64  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 55 65  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 66  2  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 61 66  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
 65 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1574👍, 0💬