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

Systemtic Name: (3S)-3-[(5S)-5-oxidanyl-2-oxidanylidene-azepan-1-yl]-4-phenyl-butanenitrile Openeye Name: (3S)-3-[(5S)-5-hydroxy-2-oxo-azepan-1-yl]-4-phenyl-butanenitrile CAS Name: (3S)-3-[(5S)-5-hydroxy-2-oxo-1-azepanyl]-4-phenylbutanenitrile IUPAC Name: (3S)-3-[(5S)-5-hydroxy-2-oxoazepan-1-yl]-4-phenylbutanenitrile Traditional Name: (3S)-3-[(5S)-5-hydroxy-2-keto-azepan-1-yl]-4-phenyl-butyronitrile Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1O)C(CC#N)CC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)N(CC[C@H]1O)[C@H](CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2/c17-10-8-14(12-13-4-2-1-3-5-13)18-11-9-15(19)6-7-16(18)20/h1-5,14-15,19H,6-9,11-12H2/t14-,15+/m1/s1