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

Systemtic Name: 3-[[5-oxidanylidene-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(1S)-1-benzyl-2-hydroxy-ethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(1S)-1-benzyl-2-hydroxy-ethyl]-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c23-15-19-7-4-8-20(13-19)16-24-10-9-22(27)25(12-11-24)21(17-26)14-18-5-2-1-3-6-18/h1-8,13,21,26H,9-12,14,16-17H2/t21-/m0/s1