2-(4-chlorophenyl)carbonyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one hydrochloride

Systemtic Name: 2-(4-chlorophenyl)carbonyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one hydrochloride Openeye Name: 2-(4-chlorobenzoyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexanone hydrochloride CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-6-[4-(2-methoxyphenyl)-1-piperazinyl]-1-cyclohexanone hydrochloride IUPAC Name: 2-(4-chlorobenzoyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one hydrochloride Traditional Name: 2-(4-chlorobenzoyl)-6-[4-(2-methoxyphenyl)piperazino]cyclohexanone hydrochloride Formula: C24H28Cl2N2O3 MolecularWeight: 463.39672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCCC(C3=O)C(=O)C4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCCC(C3=O)C(=O)C4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C24H27ClN2O3.ClH/c1-30-22-8-3-2-6-20(22)26-13-15-27(16-14-26)21-7-4-5-19(24(21)29)23(28)17-9-11-18(25)12-10-17;/h2-3,6,8-12,19,21H,4-5,7,13-16H2,1H3;1H