Molecule FYI-1007837

A

Molecule Summary:

ID: FYI-1007837
Names:
InChIKey: JZMWUPRENCYCOP-UHFFFAOYSA-N
SMILES: Clc4ccc(N1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007837 Edit

Molecule Structure InChIKey: JZMWUPRENCYCOP-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(N1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007837
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4249   13.2999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    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
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3999    0.0000 C   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 20 19  1  0  0  0  0
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 21 15  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  6  2  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007837-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -2.0522   -0.1891    0.0065 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3348   -0.1016   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999    1.1261   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981    1.1828   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5117    0.0250   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8991    0.1334    0.1460 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -0.6722   -0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1336   -0.8631    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497    0.3975    0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8758    1.1837    1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5237    1.4363    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302   -1.2291   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304   -2.4717    0.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -3.6847   -0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580   -4.8882    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -6.0175   -0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885   -5.9966   -1.8833 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329   -4.7910   -2.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171   -4.7508   -3.5924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3763   -3.8584   -4.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953   -3.2962   -3.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017   -2.4314   -3.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3985   -2.1004   -4.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1805   -1.4189   -5.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
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  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 29  1  0  0  0  0
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 14 28  2  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 26 27  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
$$$$

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