Molecule FYI-1008210

Home > Molecule

A

Molecule Summary:

ID: FYI-1008210
Names:
InChIKey: UWRLVHYLRTYGOM-UHFFFAOYSA-N
SMILES: O=C(Nc1ccccc1)c3c[nH]c2ccccc2c3=O

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008210 Edit

Molecule Structure InChIKey: UWRLVHYLRTYGOM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1)c3c[nH]c2ccccc2c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008210
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    4.8498    2.1000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008210-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
   -0.5506   -1.4692    0.5889 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530    2.1509    0.5478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525    1.8491   -0.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -0.0858   -0.1287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6712   -0.5214    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3612    0.6561   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254    0.8470    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914   -0.4704    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942    1.8944   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594   -1.7230    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7502    0.6088   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    1.0542    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448   -1.7529    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4383   -0.5914   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -0.2480   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8752    0.8182    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139   -1.4738   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2608    0.6584    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995   -1.6337   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230   -0.5676   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443    2.6965   -0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    2.8872   -0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8378   -2.6377    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3063    1.5042   -0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2863   -2.6835    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5175   -0.6210   -0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337   -0.9149   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5126    1.7953    0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838   -2.3128   -0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9032    1.4878    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4373   -2.5882   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020   -0.6920   -0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-15, 1457👍, 0💬