2-(azepan-1-yl)-1-[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone hydrochloride

Systemtic Name: 2-(azepan-1-yl)-1-[5-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-3-yl]ethanone hydrochloride Openeye Name: 2-(azepan-1-yl)-1-[5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone hydrochloride CAS Name: 2-(1-azepanyl)-1-[5-[(4-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolyl]ethanone hydrochloride IUPAC Name: 2-(azepan-1-yl)-1-[5-(4-chlorobenzoyl)-1-methylpyrrol-3-yl]ethanone hydrochloride Traditional Name: 2-(azepan-1-yl)-1-[5-(4-chlorobenzoyl)-1-methyl-pyrrol-3-yl]ethanone hydrochloride Formula: C20H24Cl2N2O2 MolecularWeight: 395.32276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)C(=O)CN3CCCCCC3.Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)Cl)C(=O)CN3CCCCCC3.Cl

InChI

InChI=1S/C20H23ClN2O2.ClH/c1-22-13-16(19(24)14-23-10-4-2-3-5-11-23)12-18(22)20(25)15-6-8-17(21)9-7-15;/h6-9,12-13H,2-5,10-11,14H2,1H3;1H