Molecule Editor

Molecule ID: FYI-1006492 Edit

Molecule Structure InChIKey: BGNGWHSBYQYVRX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c1ccc(C=O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006492
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5125    2.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125    4.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    4.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0876    4.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0876    2.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    6.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267    7.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    0.6120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006492-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -3.9387   -0.5953    0.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894   -0.1013    0.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833    0.0069   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    1.2493   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   -1.1284    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066    1.0076    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -1.3279   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    0.2212   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094    1.3564   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -1.0212    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480    0.3327   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661    2.1506   -0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309   -2.1086    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    1.7611   -0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156    0.6730    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852    1.4784    1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -1.7412   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -2.0772    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878   -1.1538   -0.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3632    2.3312   -0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935   -1.9169    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5395    1.3519   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$