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

Systemtic Name: 2-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[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=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C22H24N2O3/c1-26-19-12-10-17(11-13-19)20-8-3-2-6-14-24(20)22(25)16-27-21-9-5-4-7-18(21)15-23/h4-5,7,9-13,20H,2-3,6,8,14,16H2,1H3/t20-/m1/s1