Molecule FYI-1006267

A

Molecule Summary:

ID: FYI-1006267
Names:
InChIKey: SOLIIYNRSAWTSQ-UHFFFAOYSA-N
SMILES: O=C(Nc1ccncc1)C(=O)c3cn(Cc2ccc(Cl)cc2)c4ccccc34

Received at FYIcenter.com on: 2023-12-07

Molecule ID: FYI-1006267 Edit

Molecule Structure InChIKey: SOLIIYNRSAWTSQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccncc1)C(=O)c3cn(Cc2ccc(Cl)cc2)c4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006267
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
   11.9704    1.8139    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5984    9.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3218    7.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1731    4.6704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7471   10.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4701   11.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    5.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    6.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728    3.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1731    7.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120    5.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572    4.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2472    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572    7.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728    8.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638    5.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7471    1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3218    4.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2472    9.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7055   13.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6365    9.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
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 11 31  1  0  0  0  0
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 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 19 22  2  0  0  0  0
 19 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006267-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
    3.6015    5.1845    1.4994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817   -3.2010    0.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861   -1.8675   -1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -0.6667   -1.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053   -0.4914    0.5345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1509    2.1185    0.0756 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2944   -1.6745   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664   -2.4187    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    0.3405   -1.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389   -1.8225   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -0.7480   -0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -1.9812   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7049    1.5555   -1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6027   -3.5235    1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.2269    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9567   -3.0814    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1761    2.7473    0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 19 22  2  0  0  0  0
 19 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
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 24 25  2  0  0  0  0
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 28 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 1242👍, 0💬