Molecule FYI-1004053

A

Molecule Summary:

ID: FYI-1004053
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-1004053 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-1004053
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-1004053-3D
FYIcenter.com

 70101  0  0  1  0  0  0  0  0999 V2000
    2.2962    3.0412   -2.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    2.6627   -3.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.3006   -2.8515 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678    0.0660   -1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2834   -0.8985   -2.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7045    1.0270   -3.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458    0.1386   -3.7121 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619    2.0301   -5.3312 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7716    1.8083   -7.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158    3.7862   -8.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7357    5.1037   -6.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8871    5.0477   -5.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    5.8075   -6.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826    5.1114   -5.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8598    3.8762   -4.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    2.8308   -4.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164    1.3325   -5.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    0.9142   -5.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    0.6737   -6.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260    1.0438   -6.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7962    2.2860   -6.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006    3.4900   -8.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    4.5776   -8.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111    5.7633   -8.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234    6.1653   -7.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    6.7867   -8.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895    6.5990   -7.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    6.6046   -8.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    5.9019   -7.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137    5.2172   -6.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263    4.1943   -6.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1317    3.0182   -6.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2152    1.8636   -6.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    1.1048   -6.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974    1.3479   -7.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395    1.7690   -6.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6855    2.9869   -6.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7628    2.9625   -6.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    2.5423   -8.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318    3.3160   -9.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2310    4.3780  -10.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8450    5.6299   -9.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374    6.1206  -10.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    6.7684   -9.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268    6.6454   -9.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156    5.8715  -10.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    5.2067  -10.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179    5.2562   -8.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998    4.2110   -8.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015    3.0386   -9.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3283    1.9484   -8.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7787    1.5266   -8.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398    2.0269   -8.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957    2.6873   -8.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4470    2.1962   -9.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    2.3122   -9.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4964    2.9230  -11.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    4.1476  -11.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1918    5.2385  -11.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227    5.1710  -11.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1334    3.9700  -11.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7178    4.0528  -11.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373    2.9699  -10.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854    1.8568  -10.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    1.9617  -10.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420    2.8410  -11.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    3.5367   -4.6171 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0991    0.4537   -0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2308   -0.6155   -1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388   -1.5632   -1.2624 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, 2240👍, 0💬