3-(5-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl)propanenitrile

Systemtic Name: 3-(5-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl)propanenitrile Openeye Name: 3-(5-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)propanenitrile CAS Name: 3-(5-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)propanenitrile IUPAC Name: 3-(5-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)propanenitrile Traditional Name: 3-(3-keto-5-methyl-4,5-dihydro-1H-2-benzazepin-2-yl)propionitrile Formula: C14H16N2O MolecularWeight: 228.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(CC2=CC=CC=C12)CCC#N

Isomeric SMILES

CC1CC(=O)N(CC2=CC=CC=C12)CCC#N

InChI

InChI=1S/C14H16N2O/c1-11-9-14(17)16(8-4-7-15)10-12-5-2-3-6-13(11)12/h2-3,5-6,11H,4,8-10H2,1H3