Molecule FYI-1015450

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A

Molecule Summary:

ID: FYI-1015450
Names:
InChIKey: XZOACPDZZYNJER-UHFFFAOYSA-N
SMILES: Cc1ccc(Cl)cc1NC(=O)c3cc2ccccc2cc3O

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015450 Edit

Molecule Structure InChIKey: XZOACPDZZYNJER-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(Cl)cc1NC(=O)c3cc2ccccc2cc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015450
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015450-3D
FYIcenter.com

 36 38  0     0  0  0  0  0  0999 V2000
   -5.6973   -1.4630    1.6174 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2606   -2.8969   -1.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394   -2.0439    0.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186    0.2741   -0.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344    0.6303    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -0.3853   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -0.7406   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5436    0.4372    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944   -1.7396   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1781   -1.5642   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6264    0.4267   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679   -0.9048   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2327    1.4653   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.8094    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1547   -0.1919   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3689   -0.4815    0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    1.9846    0.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7195    0.9858    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6201    1.6002   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4421    2.4508   -1.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7562   -0.3467    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3818    0.6940    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    1.2163    0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -2.3502   -1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    1.0972   -0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022    2.6040    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8119   -0.9589   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -1.2774    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3440    2.9012    1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7966    1.1228    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1239    2.4056   -1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    3.0457   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8289    1.9396   -2.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0907    3.1489   -2.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4620    0.8115    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784   -3.4694   -1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 36  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 680👍, 0💬