Molecule Editor

Molecule ID: FYI-1016425 Edit

Molecule Structure InChIKey: MYWUZJCMWCOHBA-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(C)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016425
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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 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 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 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016425-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    3.1591    0.3582   -0.4294 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    0.1212    0.1321 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7590    0.3869   -0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567    0.2082   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.3108    0.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -1.0360   -0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    1.2918    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1820    0.1743    0.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667   -1.2009   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    1.1268    0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2555   -0.1196    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503    0.8129    0.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227   -0.2708   -1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    1.4081   -1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765   -1.4841    1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822   -2.0438   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962   -1.5443    1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2038    1.3157   -0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   -1.8840   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537    2.2656    0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1219    0.5993    0.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.8814    0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457    0.6900    1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0494   -2.1710   -0.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723    1.9687    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2739   -0.2481    0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$