2-[4-(azepan-1-ylmethyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(azepan-1-ylmethyl)phenyl]benzenecarbonitrile Openeye Name: 2-[4-(azepan-1-ylmethyl)phenyl]benzonitrile CAS Name: 2-[4-(1-azepanylmethyl)phenyl]benzonitrile IUPAC Name: 2-[4-(azepan-1-ylmethyl)phenyl]benzonitrile Traditional Name: 2-[4-(azepan-1-ylmethyl)phenyl]benzonitrile Formula: C20H22N2 MolecularWeight: 290.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N2/c21-15-19-7-3-4-8-20(19)18-11-9-17(10-12-18)16-22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14,16H2