Molecule FYI-1003520

A

Molecule Summary:

ID: FYI-1003520
Names:
InChIKey: JXMZYWNLUIGXBY-UHFFFAOYSA-N
SMILES: C4=CC3C=C(c2ccc(N1CCNCC1)cc2)C=NC3=C4c5cccc6ncccc56

Received at FYIcenter.com on: 2023-06-26

Molecule ID: FYI-1003520 Edit

Molecule Structure InChIKey: JXMZYWNLUIGXBY-UHFFFAOYSA-N

Molecule Structure SMILES String: C4=CC3C=C(c2ccc(N1CCNCC1)cc2)C=NC3=C4c5cccc6ncccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1003520
FYIcenter.com

 31 36  0  0  0  0  0  0  0  0999 V2000
   13.4466    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4466    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2342    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9553    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2342    4.4834    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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 21  4  1  0  0  0  0
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 23  3  1  0  0  0  0
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 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003520-3D
FYIcenter.com

 55 60  0  0  1  0  0  0  0  0999 V2000
    2.3003    1.3696    0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    2.4628   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797    2.0045   -1.5829 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3396    2.8286   -2.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5395    3.2557   -3.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190    4.4096   -2.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708    5.2022   -3.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-05, 357👍, 0💬