Molecule Editor

Molecule ID: FYI-1008552 Edit

Molecule Structure InChIKey: QDXUBVSBGXDRNH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN/C(NCC)=C(C#N)\C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008552
FYIcenter.com

 12 11  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
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   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
    2.4249    0.0000    0.0000 N   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
    0.0000    0.0000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   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
    6.0621    3.5000    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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  3  0  0  0  0
 11  8  1  0  0  0  0
 12 11  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008552-3D
FYIcenter.com

 24 23  0     0  0  0  0  0  0999 V2000
   -0.8534   -1.1844   -0.3718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8644    1.1769    0.3709 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554   -2.0908   -0.6597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    2.1146    0.6600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936   -0.0008   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -1.6994    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478    1.6787   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565   -3.0511    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876    3.0325   -0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1784    0.0057   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380   -1.1533   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    1.1715    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209   -1.0198    0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7853   -1.7966   -0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310    0.9944   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022    1.7687    0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2716   -1.8650   -0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889    1.8634    0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -3.7731    0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -2.9750    1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -3.4477    1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5402    3.7588   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3405    2.9634   -1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9605    3.4191   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  3  0  0  0  0
  4 12  3  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$