Molecule FYI-1013683

A

Molecule Summary:

ID: FYI-1013683
Names:
InChIKey: SAXODNFEKKWZQY-SDNWHVSQSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)s1)c5ccc(N(Cc2ccccc2)c3ccnc4cc(Cl)ccc34)cc5

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013683 Edit

Molecule Structure InChIKey: SAXODNFEKKWZQY-SDNWHVSQSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)s1)c5ccc(N(Cc2ccccc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013683
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   16.8143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 36 35  2  0  0  0  0
 36 19  1  0  0  0  0
 37  6  2  0  0  0  0
 37  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013683-3D
FYIcenter.com

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.4513   -0.7617   -0.4379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.2300    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056    0.3589    1.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6825   -0.4193    2.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3384   -0.2949    3.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1656    0.3925    5.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7927   -0.8543    6.8179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.2515    7.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3077    3.6390   -0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8784    3.3487   -2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5852    3.7922   -3.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4453    3.3298   -2.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7724    2.9478   -1.8558 C   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  4  2  0  0  0  0
  3 38  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
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M  END
$$$$

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