(3R)-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-3-phenyl-propanenitrile

Systemtic Name: (3R)-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-3-phenyl-propanenitrile Openeye Name: (3R)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-3-phenyl-propanenitrile CAS Name: (3R)-3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]-3-phenylpropanenitrile IUPAC Name: (3R)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-3-phenylpropanenitrile Traditional Name: (3R)-3-(4-benzyl-7-keto-1,4-diazepan-1-yl)-3-phenyl-propionitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c22-13-11-20(19-9-5-2-6-10-19)24-16-15-23(14-12-21(24)25)17-18-7-3-1-4-8-18/h1-10,20H,11-12,14-17H2/t20-/m1/s1