Molecule Editor

Molecule ID: FYI-1001003 Edit

Molecule Structure SMILES String: [CH2+]#CN1NCC2=CC=CC=C21

Download SDF Download SVG Structure in 2D SDF:

FYI-1001003
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4784    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    1.1326    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4195    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8119    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1661    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  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  2  0  0  0  0
 11  6  1  0  0  0  0
 11  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001003-3D
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$