Molecule FYI-1006297

A

Molecule Summary:

ID: FYI-1006297
Names:
InChIKey: PLNAZLLLWBOGRU-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)ccc2C3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006297 Edit

Molecule Structure InChIKey: PLNAZLLLWBOGRU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)Nc1c(Cl)cc(Cl)cc1Cl)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006297
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   19.8788    5.9641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.6664    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4539    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2415    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0290    5.9641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.2415    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0290    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    5.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3916    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4539    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4539    1.7641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.6664    3.8641    0.0000 C   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  1  0  0  0  0
  6  4  2  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  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  2  0  0  0  0
 24 22  1  0  0  0  0
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 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 27 18  1  0  0  0  0
 27 15  1  0  0  0  0
 28 27  2  0  0  0  0
 29 16  2  0  0  0  0
 29 12  1  0  0  0  0
 30  6  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  2  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006297-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    7.1939   -1.4560   -0.5627 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    1.6709    0.8330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8489    3.8077    0.3160 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970   -1.6945    2.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8313   -0.8438   -1.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5655    3.4077   -0.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -0.3333   -1.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758   -0.2832    0.4474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6516    1.2978   -1.0634 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -2.3760   -0.4813 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2919   -0.9257    0.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586    0.5308    0.5394 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -4.6056    2.0065    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -1.1436   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -1.8397    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4220   -1.2937    1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8812    2.8269    0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8154    0.2491   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281   -1.4615   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7651    2.5644   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843   -2.8603    1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684   -2.4916   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2067   -3.1843    0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -2.8610   -1.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743   -1.1216   -0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1405    0.2046    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5001    0.0699   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0506    3.5433    0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 17  2  0  0  0  0
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  6 21  2  0  0  0  0
  7 26  2  0  0  0  0
  8 12  1  0  0  0  0
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 20 23  2  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

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2023-12-17, 290👍, 0💬