Molecule FYI-1007793

A

Molecule Summary:

ID: FYI-1007793
Names:
InChIKey: IZWRWHUOOHQESM-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2ccc(Cl)cc2)n3)c4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007793 Edit

Molecule Structure InChIKey: IZWRWHUOOHQESM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2ccc(Cl)cc2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007793
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   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
    4.8497    0.7000    0.0000 O   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
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 O   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
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  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007793-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.7271    0.4122   -1.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    0.1776   -0.0053 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0907   -0.4424    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0671    0.5461    1.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583    0.2563    2.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2761    0.6383    3.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5214    1.3069    3.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175    1.6916    4.6842 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040    0.9868    5.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    1.9642    7.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5287    3.0242    7.1977 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5593    3.7666    5.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9736    2.8844    4.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.5781    2.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3682    2.0625    1.9832 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7873    2.8524    0.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0869    2.7722    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    3.7078   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6601    4.6871   -0.9547 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4022    4.6801   -0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    5.7572   -0.8421 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    5.8034   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076    6.9901   -0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    7.0406   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    5.9014   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222    5.9622   -1.2514 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.4538    4.6638   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5890    7.9651   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9580    3.7228   -1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    1.4041    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 138👍, 0💬