3-[[(2-oxidanylideneazepan-3-yl)amino]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[(2-oxidanylideneazepan-3-yl)amino]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[(2-oxoazepan-3-yl)amino]methyl]benzonitrile hydrochloride CAS Name: 3-[[(2-oxo-3-azepanyl)amino]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[(2-oxoazepan-3-yl)amino]methyl]benzonitrile hydrochloride Traditional Name: 3-[[(2-ketoazepan-3-yl)amino]methyl]benzonitrile hydrochloride Formula: C14H18ClN3O MolecularWeight: 279.76522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=CC(=C2)C#N.Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=CC(=C2)C#N.Cl

InChI

InChI=1S/C14H17N3O.ClH/c15-9-11-4-3-5-12(8-11)10-17-13-6-1-2-7-16-14(13)18;/h3-5,8,13,17H,1-2,6-7,10H2,(H,16,18);1H