Molecule FYI-1006805

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A

Molecule Summary:

ID: FYI-1006805
Names:
InChIKey: QEGHMIZVTMBPCV-UHFFFAOYSA-N
SMILES: Nc1ccccc1NC(=O)C(=O)Nc2ccccc2N

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006805 Edit

Molecule Structure InChIKey: QEGHMIZVTMBPCV-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccccc1NC(=O)C(=O)Nc2ccccc2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006805
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.7000    0.0000 N   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
    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
    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
    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 N   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   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
  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  9  1  0  0  0  0
 11 10  1  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 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  2  0  0  0  0
 20  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006805-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
   -1.1018    2.3300   -0.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160    2.3280    0.8699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011    0.2836    0.2948 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    0.2850   -0.2958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5119   -2.0673    1.4427 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046   -2.0679   -1.4431 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -0.0292    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -0.0334   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3028   -1.1818    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -1.1832   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5514    0.8321   -0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477    0.8306    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6534   -1.4731    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6467   -1.4765   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7169    1.3867   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7299    1.3854    0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9021    0.5410   -0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979    0.5376    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4531   -0.6117   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473   -0.6160    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8559   -0.3711    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -0.3696   -0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990    1.7417   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1978    1.7403    1.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0961   -2.3678    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0882   -2.3719   -0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5259    1.2107   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5226    1.2066    1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5047   -0.8384   -0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4986   -0.8441    0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9368   -2.8973    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304   -1.8985    1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -2.8986   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -1.8973   -1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 10  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  1  0  0  0  0
 13 25  1  0  0  0  0
 14 20  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 1722👍, 0💬