7-oxidanylidene-6-(1-phenylpropan-2-ylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile

Systemtic Name: 7-oxidanylidene-6-(1-phenylpropan-2-ylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile Openeye Name: 6-[(1-methyl-2-phenyl-ethyl)amino]-7-oxo-1,2,3,4-tetrahydroazepine-5-carbonitrile CAS Name: 7-oxo-6-(1-phenylpropan-2-ylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile IUPAC Name: 7-oxo-6-(1-phenylpropan-2-ylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile Traditional Name: 7-keto-6-[(1-methyl-2-phenyl-ethyl)amino]-1,2,3,4-tetrahydroazepine-5-carbonitrile Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=C(CCCNC2=O)C#N

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=C(CCCNC2=O)C#N

InChI

InChI=1S/C16H19N3O/c1-12(10-13-6-3-2-4-7-13)19-15-14(11-17)8-5-9-18-16(15)20/h2-4,6-7,12,19H,5,8-10H2,1H3,(H,18,20)