1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-[4-(phenylcarbonyl)phenoxy]ethanone

Systemtic Name: 1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-[4-(phenylcarbonyl)phenoxy]ethanone Openeye Name: 2-(4-benzoylphenoxy)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone CAS Name: 2-(4-benzoylphenoxy)-1-[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]ethanone IUPAC Name: 2-(4-benzoylphenoxy)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Traditional Name: 2-(4-benzoylphenoxy)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-27-17-8-12-23(27)24-11-6-3-7-18-28(24)25(29)19-31-22-15-13-21(14-16-22)26(30)20-9-4-2-5-10-20/h2,4-5,8-10,12-17,24H,3,6-7,11,18-19H2,1H3/t24-/m1/s1