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

Systemtic Name: (3S)-3-[(5S)-5-tert-butyl-2-oxidanylidene-azepan-1-yl]-4-phenyl-butanenitrile Openeye Name: (3S)-3-[(5S)-5-tert-butyl-2-oxo-azepan-1-yl]-4-phenyl-butanenitrile CAS Name: (3S)-3-[(5S)-5-tert-butyl-2-oxo-1-azepanyl]-4-phenylbutanenitrile IUPAC Name: (3S)-3-[(5S)-5-tert-butyl-2-oxoazepan-1-yl]-4-phenylbutanenitrile Traditional Name: (3S)-3-[(5S)-5-tert-butyl-2-keto-azepan-1-yl]-4-phenyl-butyronitrile Formula: C20H28N2O MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)C(CC#N)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-20(2,3)17-9-10-19(23)22(14-12-17)18(11-13-21)15-16-7-5-4-6-8-16/h4-8,17-18H,9-12,14-15H2,1-3H3/t17-,18+/m0/s1