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

Systemtic Name: 4-[(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile Openeye Name: 4-[(2-oxoazepan-3-yl)amino]benzonitrile CAS Name: 4-[(2-oxo-3-azepanyl)amino]benzonitrile IUPAC Name: 4-[(2-oxoazepan-3-yl)amino]benzonitrile Traditional Name: 4-[(2-ketoazepan-3-yl)amino]benzonitrile Formula: C13H15N3O MolecularWeight: 229.2777

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H15N3O/c14-9-10-4-6-11(7-5-10)16-12-3-1-2-8-15-13(12)17/h4-7,12,16H,1-3,8H2,(H,15,17)