Molecule FYI-1004052

A

Molecule Summary:

ID: FYI-1004052
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-1004052 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-1004052
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-1004052-3D
FYIcenter.com

 70101  0  0  1  0  0  0  0  0999 V2000
    2.0702    2.9943   -1.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687    2.5180   -2.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.8355   -2.8731 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   -0.1578   -1.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.3634   -1.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775    0.2622   -4.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8280   -0.5245   -4.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020    1.3951   -5.7486 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8217    1.6036   -7.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    3.4587   -8.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    4.9470   -7.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3692    4.9409   -5.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471    5.9000   -6.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815    5.2801   -5.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    4.0449   -4.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896    2.9161   -4.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222    1.6363   -4.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6852    1.8090   -4.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0323    2.4171   -5.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1916    1.8178   -6.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    2.6973   -7.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.7049   -8.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2737    4.4979   -8.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570    5.7107   -8.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7582    6.0811   -7.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031    6.8501   -8.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    6.7224   -7.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5809    6.7017   -8.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296    5.9664   -7.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2171    5.3201   -6.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    4.2192   -6.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748    3.0363   -5.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    2.0117   -6.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4529    1.8354   -6.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    2.7477   -6.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    3.1172   -5.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646    3.1856   -6.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4241    2.4477   -7.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4018    2.2681   -9.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0389    3.4116   -9.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1722    4.4586  -10.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7330    5.6645  -10.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5158    6.1650  -10.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    6.8411   -9.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1679    6.7062   -9.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016    5.8672  -10.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634    5.1603  -10.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1071    5.2372   -8.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788    4.1737   -8.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    2.9626   -8.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    2.0186   -8.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    1.8217   -8.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    2.6059   -7.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    2.7089   -8.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485    2.0389   -9.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366    2.1049  -10.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648    2.8968  -11.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285    4.1814  -11.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    5.2627  -11.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260    5.1585  -11.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    3.9261  -11.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915    3.9669  -10.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212    2.8684  -10.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864    1.8963   -9.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    1.9334  -10.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0111    2.8115  -11.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955    3.2954   -4.6867 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7192    0.2505   -0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220   -0.5485   -1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176   -1.9619   -1.1604 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, 753👍, 0💬