Molecule FYI-1007983

A

Molecule Summary:

ID: FYI-1007983
Names:
InChIKey: BNXRKACWWFGBDQ-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-24

Molecule ID: FYI-1007983 Edit

Molecule Structure InChIKey: BNXRKACWWFGBDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007983
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    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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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007983-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    0.6141    2.9989    0.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993    1.8355    0.7178 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1014    0.8973    0.6016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    1.4545    1.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539    0.1151    1.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569   -0.2383    1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    0.7405    1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    2.0825    1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5264    3.1011    1.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    3.2894    2.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4363    4.3296    1.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5485    4.7027    2.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2677    3.0049    4.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7344    2.2015    5.0788 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4453    2.5337    6.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5339    3.7398    8.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5856    2.9450    8.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0524    1.9245    8.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810    1.6886    6.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9953    0.4791    5.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1094   -1.9582    5.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2574    2.4291    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 30  2  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
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 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2024-04-14, 134👍, 0💬