Molecule FYI-1002566

A

Molecule Summary:

ID: FYI-1002566
Names:
InChIKey: HIDVDAVOMSJIMX-UHFFFAOYSA-N
SMILES: Cc1occc1C(=O)Nc2ccccc2C(=O)Nc3ccc(Cl)cc3

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002566 Edit

Molecule Structure InChIKey: HIDVDAVOMSJIMX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1occc1C(=O)Nc2ccccc2C(=O)Nc3ccc(Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002566
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.4198    5.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  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
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  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 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002566-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
   -6.4826   -1.8146    0.1288 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3059   -4.2957   -0.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484   -0.4247    0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013    2.3123   -1.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    0.3083   -0.1368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    1.0369    0.3856 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614    1.6960    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5436    2.5092   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1744   -2.0553   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858   -0.6408    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8894    2.2651    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543    1.9468   -0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    3.8915   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -3.1517   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9997    3.6475    0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335    0.3559    0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    4.4606    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -2.5577   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4168   -3.3176    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -3.9256   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896    0.5619   -0.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987   -0.5211    1.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6109   -0.1091   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1200   -1.1921    1.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9762   -0.9861    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6565   -0.0385   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8044    1.7130    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091    4.5377   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    0.8345    1.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9556    4.0924    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678    5.5369    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163   -2.0148   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6228   -2.9235    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7096   -4.3725    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508   -2.7898   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -4.7329   -0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1775    1.2234   -1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2402   -0.6912    2.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2690    0.0601   -1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3912   -1.8728    2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1223👍, 0💬