3-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzonitrile CAS Name: 3-[[2-(4-methoxyphenyl)-1-azepanyl]methyl]benzonitrile IUPAC Name: 3-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]benzonitrile Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H24N2O/c1-24-20-11-9-19(10-12-20)21-8-3-2-4-13-23(21)16-18-7-5-6-17(14-18)15-22/h5-7,9-12,14,21H,2-4,8,13,16H2,1H3