(3S)-3-[(5S)-5-methyl-2-oxidanylidene-azepan-1-yl]-4-phenyl-butanenitrile

Systemtic Name: (3S)-3-[(5S)-5-methyl-2-oxidanylidene-azepan-1-yl]-4-phenyl-butanenitrile Openeye Name: (3S)-3-[(5S)-5-methyl-2-oxo-azepan-1-yl]-4-phenyl-butanenitrile CAS Name: (3S)-3-[(5S)-5-methyl-2-oxo-1-azepanyl]-4-phenylbutanenitrile IUPAC Name: (3S)-3-[(5S)-5-methyl-2-oxoazepan-1-yl]-4-phenylbutanenitrile Traditional Name: (3S)-3-[(5S)-2-keto-5-methyl-azepan-1-yl]-4-phenyl-butyronitrile Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)C(CC#N)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC(=O)N(CC1)[C@H](CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O/c1-14-7-8-17(20)19(12-10-14)16(9-11-18)13-15-5-3-2-4-6-15/h2-6,14,16H,7-10,12-13H2,1H3/t14-,16+/m0/s1