(3S)-3-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)-4-phenyl-butanenitrile

Systemtic Name: (3S)-3-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)-4-phenyl-butanenitrile Openeye Name: (3S)-3-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-4-phenyl-butanenitrile CAS Name: (3S)-3-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-4-phenylbutanenitrile IUPAC Name: (3S)-3-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-4-phenylbutanenitrile Traditional Name: (3S)-3-(7-keto-4-phenethyl-1,4-diazepan-1-yl)-4-phenyl-butyronitrile Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC#N)CC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)[C@H](CC#N)CC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O/c24-14-11-22(19-21-9-5-2-6-10-21)26-18-17-25(16-13-23(26)27)15-12-20-7-3-1-4-8-20/h1-10,22H,11-13,15-19H2/t22-/m1/s1