Molecule FYI-1015378

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A

Molecule Summary:

ID: FYI-1015378
Names:
InChIKey: NEEZTPLBDJRDCV-UHFFFAOYSA-N
SMILES: NC(=O)CN2CC(c1ccc(Cl)cc1)CC2=O

Received at FYIcenter.com on: 2025-08-21

Molecule ID: FYI-1015378 Edit

Molecule Structure InChIKey: NEEZTPLBDJRDCV-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)CN2CC(c1ccc(Cl)cc1)CC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015378
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    5.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842    6.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4690    7.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    6.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4308    8.7381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015378-3D
FYIcenter.com

 30 31  0     1  0  0  0  0  0999 V2000
   -5.8071   -0.9915   -0.6002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    2.3559   -0.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1196   -1.2899   -1.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    0.3016    0.5315 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763   -1.8400   -0.1697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1881    0.7167    0.7136 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8600   -0.3990    0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4440    1.7363   -0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.5521   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6011    0.2875    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3814   -0.3273    0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -0.9874    0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    1.1699   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7898   -1.1728   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385   -1.3834    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7601    0.7740   -0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2005   -0.5027   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166    1.1770    1.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8779   -0.9253    1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -1.1195   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540    2.7623   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.5218   -1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    0.4510    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072   -0.9380    1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914   -1.6885    1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465    2.1741   -0.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6692   -2.3803    0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4218    1.4716   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3648   -2.4568   -0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5065   -1.7382    0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  9  2  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

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2025-11-06, 1158👍, 0💬