7-oxidanylidene-4-phenyl-1-(phenylmethyl)azepane-4-carbonitrile

Systemtic Name: 7-oxidanylidene-4-phenyl-1-(phenylmethyl)azepane-4-carbonitrile Openeye Name: 1-benzyl-7-oxo-4-phenyl-azepane-4-carbonitrile CAS Name: 7-oxo-4-phenyl-1-(phenylmethyl)-4-azepanecarbonitrile IUPAC Name: 1-benzyl-7-oxo-4-phenylazepane-4-carbonitrile Traditional Name: 1-benzyl-7-keto-4-phenyl-azepane-4-carbonitrile Formula: C20H20N2O MolecularWeight: 304.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1=O)CC2=CC=CC=C2)(C#N)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCN(C1=O)CC2=CC=CC=C2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O/c21-16-20(18-9-5-2-6-10-18)12-11-19(23)22(14-13-20)15-17-7-3-1-4-8-17/h1-10H,11-15H2