3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]benzonitrile CAS Name: 3-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]benzonitrile IUPAC Name: 3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]benzonitrile Traditional Name: 3-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]benzonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N2O2/c1-25-19-11-9-17(10-12-19)20-8-3-2-4-13-23(20)21(24)18-7-5-6-16(14-18)15-22/h5-7,9-12,14,20H,2-4,8,13H2,1H3/t20-/m1/s1