3-[[5-oxidanylidene-4-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-oxidanylidene-4-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(1S)-2-hydroxy-1-phenyl-ethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(1S)-2-hydroxy-1-phenylethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(1S)-2-hydroxy-1-phenylethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(1S)-2-hydroxy-1-phenyl-ethyl]-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c22-14-17-5-4-6-18(13-17)15-23-10-9-21(26)24(12-11-23)20(16-25)19-7-2-1-3-8-19/h1-8,13,20,25H,9-12,15-16H2/t20-/m1/s1