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

Systemtic Name: 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]benzonitrile CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]benzonitrile IUPAC Name: 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]benzonitrile Traditional Name: 4-[(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-25-19-12-10-17(11-13-19)20-5-3-2-4-14-23(20)21(24)18-8-6-16(15-22)7-9-18/h6-13,20H,2-5,14H2,1H3/t20-/m1/s1