Molecule Editor

Molecule ID: FYI-1014143 Edit

Molecule Structure InChIKey: ATGUVEKSASEFFO-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc(Nc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014143
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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  4  1  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  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014143-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    0.4294    1.1050   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8245   -0.8615   -0.0734 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8916    0.6114   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854    0.4683    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221    1.3550    0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675   -0.6209   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5044   -0.3658   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2285    0.8664    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4740   -1.1095   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    1.0774   -0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247   -0.7735    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    0.4464   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684   -1.4043    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745   -0.7943    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856    2.1195   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    2.3159    1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889   -1.2113   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0226    1.4547    0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773   -2.0691   -1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6988    2.0438   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -1.2620    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.9213   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1770   -2.3682    1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1431   -1.2850    0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5729   -0.3204    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0261   -1.7524   -0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$