(3S)-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-4-phenyl-butanenitrile

Systemtic Name: (3S)-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-4-phenyl-butanenitrile Openeye Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-4-phenyl-butanenitrile CAS Name: (3S)-3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]-4-phenylbutanenitrile IUPAC Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-4-phenylbutanenitrile Traditional Name: (3S)-3-(4-benzyl-7-keto-1,4-diazepan-1-yl)-4-phenyl-butyronitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC#N)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)[C@H](CC#N)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O/c23-13-11-21(17-19-7-3-1-4-8-19)25-16-15-24(14-12-22(25)26)18-20-9-5-2-6-10-20/h1-10,21H,11-12,14-18H2/t21-/m1/s1