Molecule FYI-1013353

A

Molecule Summary:

ID: FYI-1013353
Names:
InChIKey: GZABCTQOBQXZPM-UHFFFAOYSA-N
SMILES: CN(C)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

Received at FYIcenter.com on: 2024-12-10

Molecule ID: FYI-1013353 Edit

Molecule Structure InChIKey: GZABCTQOBQXZPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013353
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013353-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    0.8736    1.8234   -0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500    0.4015   -1.0824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9726    0.4931    1.1383 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -0.4361    0.0386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184   -0.1792   -0.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816    1.2341   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2606    0.7143    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    0.1147    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1897   -0.0515   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1790    0.0153    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    0.6264    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227   -0.3711    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2859   -0.5002   -1.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095   -0.2435   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0685   -1.4812    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 1236👍, 0💬