Molecule Editor

Molecule ID: FYI-1016152 Edit

Molecule Structure InChIKey: AVKHCKXGKPAGEI-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)NNc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016152
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016152-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    2.6462    0.8813   -1.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    0.7426    0.8177 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924   -0.1426    0.7788 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350   -0.9595   -0.1258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166    0.3248    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097    1.2703    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8874   -1.0333    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735    0.8576   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512   -1.4460   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443   -0.5005   -0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    0.0052   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4109    2.3316    0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -1.8015    0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775    1.7275    0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6467    1.5938   -0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3630   -2.5036   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1283   -0.8218   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392   -0.8303    1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075   -0.9823   -0.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170   -1.6739    0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$