Molecule FYI-1003485

A

Molecule Summary:

ID: FYI-1003485
Names:
InChIKey: ALIZJCOWZGXVNF-XCVKOEMISA-N
SMILES: O=C(NC7(c6noc([C@]23[C@@H]5C(=O)[C@H]1[C@@H]4C[C@H]([C@H]12)[C@H]3[C@@H]45)n6)CCC7)c8ccccc8

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003485 Edit

Molecule Structure InChIKey: ALIZJCOWZGXVNF-XCVKOEMISA-N

Molecule Structure SMILES String: O=C(NC7(c6noc([C@]23[C@@H]5C(=O)[C@H]1[C@@H]4C[C@H]([C@H]12)[C@H]3[C@@H]45)n6)CCC7)c8ccccc8

Download SDF Download SVG Structure in 2D SDF:

FYI-1003485
FYIcenter.com

 29 36  0  0  1  0  0  0  0  0999 V2000
    4.2137    5.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602    4.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602    3.7574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    3.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    3.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719    2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0400    1.1929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505    0.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9816    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275    2.7530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1429    1.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3589    1.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908    2.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8227    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3270    0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0775    0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725    0.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    2.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1715    3.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    5.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    4.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    7.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    6.7983    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  6  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  1  0  0  0
 17 16  1  1  0  0  0
 18 17  1  1  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  2  0  0  0  0
 22 20  1  6  0  0  0
 22 17  1  0  0  0  0
 23 22  1  1  0  0  0
 23 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003485-3D
FYIcenter.com

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2023-07-05, 1513👍, 0💬