• 
  [Synonyms]
  NSC639865
  AIDS136853
  AIDS-136853
  NCI60_013286
  1-(1,3-Benzodioxol-5-ylcarbonyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	323.34258 [g/mol]
  Molecular Formula	C19H17NO4
  XLogP	2.3
  H-Bond Donor	0
  H-Bond Acceptor	4
  Rotatable Bond Count	2
  Tautomer Count	3
  Exact Mass	323.115758
  MonoIsotopic Mass	323.115758
  Topological Polar Surface Area	55.8
  Heavy Atom Count	24
  Formal Charge	0
  Complexity	508
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 1-(1,3-benzodioxole-5-carbonyl)-3-methyl-4,
  5-dihydro-1H-3-benzazepin-2-one
  Canonical SMILES: CN1CCC2=CC=CC=C2C(C1=O)C(=O)C3=CC4=C(C=C3)OCO4
  InChI: InChI=1/C19H17NO4/c1-20-9-8-12-4-2-3-5-14(12)17(19(20)22)18(21)13-6-7-
  15-16(10-13)24-11-23-15/h2-7,10,17H,8-9,11H2,1H3