Molecule FYI-1006299

A

Molecule Summary:

ID: FYI-1006299
Names:
InChIKey: XVWPXDUKGHQJPV-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)Nc1cc(Cl)cc(Cl)c1)ccc2C3=O)C(=O)N4

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

Molecule ID: FYI-1006299 Edit

Molecule Structure InChIKey: XVWPXDUKGHQJPV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)Nc1cc(Cl)cc(Cl)c1)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006299
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   17.4539    7.3641    0.0000 Cl  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
   16.2414    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    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
   12.6042    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9669    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
    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9669    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
   18.6663    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8787    3.1641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    5.2641    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  5  1  0  0  0  0
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 10  9  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 23 17  1  0  0  0  0
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 26 25  2  0  0  0  0
 27 14  2  0  0  0  0
 27 10  1  0  0  0  0
 28  4  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  2  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006299-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    5.6004    3.8168   -1.3359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5772    0.9698    2.1514 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8497   -1.9339    2.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7313   -0.6621   -1.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3980    3.5442   -0.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.2262   -1.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392   -0.3219    0.4769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5175    1.4550   -0.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -2.3759   -0.7959 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4135   -1.0213   -0.0979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8084    0.4910    0.6822 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.6813   -1.1149   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315   -1.9326    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853   -1.4304    1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6900    0.3597   -0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320   -1.3688   -1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6030    2.6510   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693   -3.0153    1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -2.4597   -0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5070   -2.7643   -1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2798   -1.1091   -0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3737   -0.0076    0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1088   -3.0483   -0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517   -1.8484    0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2109    1.4005   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6555    3.1164    0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 25  2  0  0  0  0
  7 11  1  0  0  0  0
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 31 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 282👍, 0💬