3-[[5-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzyl-5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile CAS Name: 3-[[5-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[(4-benzyl-5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-benzyl-5-keto-1,4-diazepan-1-yl)methyl]benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c21-14-18-7-4-8-19(13-18)15-22-10-9-20(24)23(12-11-22)16-17-5-2-1-3-6-17/h1-8,13H,9-12,15-16H2