4-[[(2-oxidanylideneazepan-3-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2-oxidanylideneazepan-3-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(2-oxoazepan-3-yl)amino]methyl]benzonitrile CAS Name: 4-[[(2-oxo-3-azepanyl)amino]methyl]benzonitrile IUPAC Name: 4-[[(2-oxoazepan-3-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(2-ketoazepan-3-yl)amino]methyl]benzonitrile Formula: C14H17N3O MolecularWeight: 243.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O/c15-9-11-4-6-12(7-5-11)10-17-13-3-1-2-8-16-14(13)18/h4-7,13,17H,1-3,8,10H2,(H,16,18)