Molecule FYI-1007797

A

Molecule Summary:

ID: FYI-1007797
Names:
InChIKey: BYELELDYCMTDHI-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

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

Molecule ID: FYI-1007797 Edit

Molecule Structure InChIKey: BYELELDYCMTDHI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007797
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  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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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 21 20  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
 26 21  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30  6  2  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007797-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.1847   -0.5117   -0.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2551    0.0613    0.0002 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7720    0.4758   -1.2036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9638    0.2846    1.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421   -0.1889    2.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401    0.0248    3.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779    0.7023    3.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054    0.8908    4.9026 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775   -0.0398    6.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429    0.7105    7.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3411    1.7902    7.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3421    2.7332    6.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985    2.0983    5.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942    1.1857    2.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2351    1.6948    2.3445 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6370    2.7240    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9390    2.7942    1.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553    3.8725    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3837    4.8461   -0.0898 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1361    4.7132    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2327    5.7099    0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    5.7015   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0437    4.7362    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559    4.6987    0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072    5.6531   -0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469    6.6559   -0.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8674    7.8176   -1.8777 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    6.6887   -0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6980    6.3948   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970    3.9796    1.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896    3.9184    0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736    5.6107   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019    1.3042    0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
  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
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  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
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  9 36  1  0  0  0  0
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 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1588👍, 0💬