Molecule Editor

Molecule ID: FYI-1008512 Edit

Molecule Structure InChIKey: GVWQSAAAXRKJBL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)Oc1cccc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008512
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    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
    4.8498    3.5000    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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    0.0000    3.5000    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    1.4000    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    2.1000    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  1  0  0  0  0
  5  3  1  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
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008512-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
   -1.1499   -0.6635    0.4335 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658    0.6681   -0.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    2.0212   -0.6929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278    0.5131    0.2310 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3204    0.1146   -0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0065    1.2826    1.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2668   -0.6913   -1.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -0.5479    0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030   -1.6624    0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010    0.7687   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712   -1.5194    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877   -0.2839   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084    1.1616   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215   -0.4981    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332    1.0100   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4257    0.6562    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    1.5947    1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6289    2.1770    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628   -0.1286   -2.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2810   -0.9224   -1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377   -1.6391   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5843   -2.6191    0.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0336   -2.3693    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9544   -0.1654   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910    2.7889   -0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959    2.2352   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$