4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethoxy]benzonitrile Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2O3/c1-26-19-12-8-18(9-13-19)21-5-3-2-4-14-24(21)22(25)16-27-20-10-6-17(15-23)7-11-20/h6-13,21H,2-5,14,16H2,1H3/t21-/m1/s1