2-[2-(azepan-1-ylcarbonyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]benzenecarbonitrile Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]benzonitrile CAS Name: 2-[2-[1-azepanyl(oxo)methyl]phenyl]benzonitrile IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]benzonitrile Traditional Name: 2-[2-(azepane-1-carbonyl)phenyl]benzonitrile Formula: C20H20N2O MolecularWeight: 304.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O/c21-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)20(23)22-13-7-1-2-8-14-22/h3-6,9-12H,1-2,7-8,13-14H2