Molecule FYI-1007903

A

Molecule Summary:

ID: FYI-1007903
Names:
InChIKey: ZCBTZOQJZYQLRO-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)c4Cl

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007903 Edit

Molecule Structure InChIKey: ZCBTZOQJZYQLRO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007903
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.8499   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   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
    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
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
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    6.0623    4.2000    0.0000 Cl  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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31  8  2  0  0  0  0
 31  4  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007903-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    3.7092  -12.8760    4.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8434  -12.1137    3.9244 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7949  -11.1287    4.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517  -12.3630    2.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0022  -13.6939    2.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761  -13.9778    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447  -12.9308    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222  -11.5867    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615  -10.6220   -0.2868 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -9.3918   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5494   -9.1735   -0.3884 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0534   -6.2944   -1.9950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1892   -6.6223   -2.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6981   -7.4562   -3.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494   -7.9217   -4.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0971   -8.3410   -1.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 48  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

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2024-04-14, 138👍, 0💬