Molecule Editor

Molecule ID: FYI-1015693 Edit

Molecule Structure InChIKey: MZFOUDKOWFRTED-UHFFFAOYSA-N

Molecule Structure SMILES String: c3cncc(c2ccc1ncccc1c2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015693
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    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
    1.2125    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
    1.2125    0.0000    0.0000 N   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
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
  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  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015693-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
   -3.5810   -1.0062   -0.1355 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1687   -0.8367    0.4818 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5209   -0.2702   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7580    0.5541    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721    0.7849    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594   -0.7503   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465   -0.0281   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.5576   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438   -1.7868   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    1.5978    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761    1.1857   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275   -0.9982    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0415    1.3373    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4367    0.0292    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    1.3893   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    0.3560    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    1.8003    0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6869   -2.4117   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004   -2.8035   -0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404    2.6202    0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8580    1.9878   -0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -1.9634    0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7676    2.1323    0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4887   -0.2346   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2871    2.3248   -0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254    0.4640    0.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  2  0  0  0  0
  2 12  1  0  0  0  0
  2 16  2  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$