3-[(2-oxidanylideneazepan-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(2-oxidanylideneazepan-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(2-oxoazepan-1-yl)methyl]benzonitrile CAS Name: 3-[(2-oxo-1-azepanyl)methyl]benzonitrile IUPAC Name: 3-[(2-oxoazepan-1-yl)methyl]benzonitrile Traditional Name: 3-[(2-ketoazepan-1-yl)methyl]benzonitrile Formula: C14H16N2O MolecularWeight: 228.28964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H16N2O/c15-10-12-5-4-6-13(9-12)11-16-8-3-1-2-7-14(16)17/h4-6,9H,1-3,7-8,11H2