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

Systemtic Name: (3S)-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-4-(4-phenylmethoxyphenyl)butanenitrile Openeye Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-4-(4-benzyloxyphenyl)butanenitrile CAS Name: (3S)-3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]-4-(4-phenylmethoxyphenyl)butanenitrile IUPAC Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-4-(4-phenylmethoxyphenyl)butanenitrile Traditional Name: (3S)-4-(4-benzoxyphenyl)-3-(4-benzyl-7-keto-1,4-diazepan-1-yl)butyronitrile Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC#N)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)[C@H](CC#N)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2/c30-17-15-27(21-24-11-13-28(14-12-24)34-23-26-9-5-2-6-10-26)32-20-19-31(18-16-29(32)33)22-25-7-3-1-4-8-25/h1-14,27H,15-16,18-23H2/t27-/m1/s1