Molecule FYI-1003369

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A

Molecule Summary:

ID: FYI-1003369
Names:
InChIKey: FYGISIBTRLEPEM-SCSAIBSYSA-N
SMILES: CN2C=C[C@H]1C(=O)NC(=O)N=C12

Received at FYIcenter.com on: 2023-06-07

Molecule ID: FYI-1003369 Edit

Molecule Structure InChIKey: FYGISIBTRLEPEM-SCSAIBSYSA-N

Molecule Structure SMILES String: CN2C=C[C@H]1C(=O)NC(=O)N=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1003369
FYIcenter.com

 12 13  0  0  1  0  0  0  0  0999 V2000
    4.5302    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    4.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    5.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    0.7494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  6  0  0  0
  6  5  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  5  1  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003369-3D
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    1.6898   -0.0380    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    0.1673    0.4715 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430   -0.4090    1.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.4038    1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    0.4158   -0.0369 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4212    0.0219   -1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5509   -0.3613   -0.7527 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0325    0.2219   -2.3353 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7297    0.1472   -2.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286   -0.1511   -3.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7029    0.2938   -1.8591 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    0.3281   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795   -0.1088    1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056   -0.9635   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427    0.7982   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391   -0.8714    2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   -0.8878    1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5955    1.4530    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061   -0.0255   -3.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  1  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$

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2023-07-01, 1392👍, 0💬