Molecule Editor

Molecule ID: FYI-1008884 Edit

Molecule Structure InChIKey: KIMWOULVHFLJIU-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008884
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    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 N   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
    3.6373    4.2000    0.0000 O   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 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
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008884-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    1.7898    1.2661    0.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311   -0.8195   -0.3064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5557    2.2907   -0.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557   -0.0794    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9795    0.9490   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949   -1.3976    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    0.1901    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425    0.6593   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579   -1.6874    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817   -0.6589   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722   -0.7124   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872   -2.2243    0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    1.4510   -0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -2.7127    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8431   -0.8844   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489   -1.6494   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259    2.5292   -0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    3.0213   -0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020   -0.2873   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -1.7134   -0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9941   -0.0676    0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$