Molecule FYI-1007417

A

Molecule Summary:

ID: FYI-1007417
Names:
InChIKey: NEPYYAKQDZXIOZ-UHFFFAOYSA-N
SMILES: CNC(=O)c4ccc(c2cn[c+]3cnc(C(=O)N(C)c1ccc(Cl)cc1)c[n+]23)cc4

Received at FYIcenter.com on: 2024-02-21

Molecule ID: FYI-1007417 Edit

Molecule Structure InChIKey: NEPYYAKQDZXIOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c4ccc(c2cn[c+]3cnc(C(=O)N(C)c1ccc(Cl)cc1)c[n+]23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007417
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    5.3120    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.4904    6.3524    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    8.7904    7.5648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6946    2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0405    1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9892    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3351    0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043    2.9006    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  7 15  2  0  0  0  0
  7 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 12 16  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 23 29  1  0  0  0  0
 23 25  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007417-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.2859    0.2005   -6.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853   -0.3316   -6.0409 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    0.3420   -5.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772    1.4165   -4.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152   -0.2916   -4.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -1.1403   -5.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046   -1.6818   -5.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956   -1.4180   -3.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7824   -1.8535   -3.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5464   -1.7864   -4.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8017   -1.9814   -4.6613 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138   -2.1380   -3.3353 C   0  3  0  0  0  0  0  0  0  0  0  0
   13.0074   -1.6449   -2.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1626   -2.6226   -1.6953 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6819   -2.2736   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2280   -1.9086   -0.8357 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1225   -2.7689    1.2972 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667   -2.6578    1.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6215   -3.4884    2.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4204   -4.1984    2.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0130   -4.9753    3.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7874   -5.0513    4.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   -5.9492    6.2035 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9969   -4.3851    4.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4009   -3.6224    3.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2462   -2.2072   -0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7483   -2.0911   -2.5175 N   0  3  0  0  0  0  0  0  0  0  0  0
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    5.8019    0.8139   -2.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
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  5 30  2  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
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  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  2  0  0  0  0
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 10 11  2  0  0  0  0
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 19 40  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END
$$$$

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2024-02-28, 176👍, 0💬