N-Benzoyl-4-perhydroazepinone
  -molcms-05182617292D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.4787   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777   -2.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515   -1.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262   -0.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272   -0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -0.6928    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
   -0.0747    0.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010   -0.4339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -2.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577   -1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -0.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916   -0.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577   -0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <ProductName>
N-Benzoyl-4-perhydroazepinone

>  <CASNumber>
15923-40-7

>  <MolecularFormula>
C13H15NO2

>  <MDLNo>
MFCD06412563

>  <MolWt>
217.26

>  <BoilingPoint>
389��Cat760mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1=CC=C(C=C1)C(=O)N2CCCC(=O)CC2

$$$$