Molecule FYI-1007914

A

Molecule Summary:

ID: FYI-1007914
Names:
InChIKey: HYPRGWYLJOETPW-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007914 Edit

Molecule Structure InChIKey: HYPRGWYLJOETPW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007914
FYIcenter.com

 31 34  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
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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    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
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 26 25  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007914-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.9025   -3.0944    0.0755 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631   -3.4094   -0.0869 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3126   -4.6357   -0.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -2.5308    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582   -2.9271    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4941   -2.0789    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2162   -0.8486    1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9018   -0.4275    1.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5725    0.7886    1.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    1.7179    2.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5749    2.8964    2.6718 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7330    2.0330    5.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3669    2.5328    6.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4950    4.1909    8.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929    5.5314    9.1159 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6866    3.6722    8.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2427    2.6029    8.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000    1.9918    6.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0542   -0.5006    7.1326 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3841   -0.5606    8.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8652   -0.8072    8.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3130   -2.0323    8.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 135👍, 0💬