Molecule FYI-1005586

A

Molecule Summary:

ID: FYI-1005586
Names:
InChIKey: FESFLVPSMARUBX-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(N(C)c1ccccc1)c(Cl)cc23

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005586 Edit

Molecule Structure InChIKey: FESFLVPSMARUBX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(N(C)c1ccccc1)c(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005586
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005586-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.8924    0.1148   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    0.0115   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    1.1059   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353    1.0595   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2955    2.0918   -0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155   -0.1964   -0.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284   -1.3628   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1195   -2.5757    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536   -3.8095    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2522   -4.9661    0.3906 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295   -6.2630   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5016   -4.9964    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7289   -4.1455    2.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9608   -4.1115    2.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9941   -4.9451    2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7926   -5.8136    1.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5618   -5.8370    0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402   -3.7460    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008   -5.0982    0.5123 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3561   -2.5162    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0426   -1.3028   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558    1.1576    0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -0.3830    0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4484   -0.3394   -0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482    2.1090   -0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2066   -2.5449   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8935   -6.2410   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -6.9952    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5477   -6.6506   -0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9362   -3.4927    2.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093   -3.4287    3.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9534   -4.9174    2.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5979   -6.4657    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4768   -6.5050   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684   -2.5243    0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

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2023-11-13, 2274👍, 0💬