Molecule FYI-1003489

A

Molecule Summary:

ID: FYI-1003489
Names:
InChIKey: GAKMJODIBNFKJA-VQTJNVASSA-N
SMILES: O=C(N[C@@H]1C[C@H]1c2ccccc2)N5CCn4c(CCc3ccccc3)nnc4C5

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

Molecule ID: FYI-1003489 Edit

Molecule Structure InChIKey: GAKMJODIBNFKJA-VQTJNVASSA-N

Molecule Structure SMILES String: O=C(N[C@@H]1C[C@H]1c2ccccc2)N5CCn4c(CCc3ccccc3)nnc4C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003489
FYIcenter.com

 29 33  0  0  1  0  0  0  0  0999 V2000
    6.5696    9.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5065    8.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8758    8.4778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036    6.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1441    7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5135    7.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4503    6.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8197    6.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2523    7.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3155    8.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9462    8.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 28 27  2  0  0  0  0
 28 16  1  0  0  0  0
 29 28  1  0  0  0  0
 29 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003489-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    1.2905    0.4646   -0.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953   -0.0090    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114   -0.0143    1.4414 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    0.5965    2.5278 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4916    0.2000    3.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780   -0.1974    3.3151 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-07-05, 2131👍, 0💬