4-[2-(azepan-1-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(azepan-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(azepan-1-yl)acetyl]benzonitrile CAS Name: 4-[2-(1-azepanyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(azepan-1-yl)acetyl]benzonitrile Traditional Name: 4-[2-(azepan-1-yl)acetyl]benzonitrile Formula: C15H18N2O MolecularWeight: 242.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H18N2O/c16-11-13-5-7-14(8-6-13)15(18)12-17-9-3-1-2-4-10-17/h5-8H,1-4,9-10,12H2