2-oxidanylidene-3-(phenylmethyl)imino-azepane-4-carbonitrile

Systemtic Name: 2-oxidanylidene-3-(phenylmethyl)imino-azepane-4-carbonitrile Openeye Name: 3-benzylimino-2-oxo-azepane-4-carbonitrile CAS Name: 2-oxo-3-(phenylmethyl)imino-4-azepanecarbonitrile IUPAC Name: 3-benzylimino-2-oxoazepane-4-carbonitrile Traditional Name: 3-benzylimino-2-keto-azepane-4-carbonitrile Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=NCC2=CC=CC=C2)C(=O)NC1)C#N

Isomeric SMILES

C1CC(C(=NCC2=CC=CC=C2)C(=O)NC1)C#N

InChI

InChI=1S/C14H15N3O/c15-9-12-7-4-8-16-14(18)13(12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2,(H,16,18)