Molecule Editor

Molecule ID: FYI-1016163 Edit

Molecule Structure InChIKey: OBZYXZZEDIFHRY-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC12CC1(C#N)C(=O)NC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016163
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.9861    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    3.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    4.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    6.1947    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  1  0  0  0  0
  5  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  3  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016163-3D
FYIcenter.com

 15 16  0     1  0  0  0  0  0999 V2000
   -2.3098    1.5846    0.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118    1.5822    0.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    1.9033    0.4185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0804   -2.1937    0.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777   -2.1960    0.5015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.1315   -0.3738 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7622   -0.1326   -0.3737 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0001   -0.2852   -1.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1531    1.2091    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1546    1.2079    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -1.2730    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905   -1.2749    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -1.2503   -2.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    0.5440   -2.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    2.8521    0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 11  3  0  0  0  0
  5 12  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$