Molecule Editor

Molecule ID: FYI-1016765 Edit

Molecule Structure InChIKey: AQIPNZHMXANQRC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(c1ccccn1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016765
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016765-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    4.3979    1.2087    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5765   -1.0573    0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981   -0.0033    1.1885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.0135   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227   -0.0030   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305    1.1892   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126   -1.2266   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.0342   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7253    1.1789   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074   -1.2370   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5253    0.0061   -1.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9141    0.0155   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5459    0.0156    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7499    0.0061    1.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8679   -0.0452    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917    2.1431   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232   -2.1729   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353    2.1381    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -2.1927   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.0059   -2.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5032    0.0228   -2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6272    0.0228    0.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    0.0057    2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3788    1.1902    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 24  1  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  2  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 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$