3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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