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

Systemtic Name: 2-(4-methoxyphenyl)carbonyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one hydrochloride Openeye Name: 2-(4-methoxybenzoyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexanone hydrochloride CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-6-[4-(4-methoxyphenyl)-1-piperazinyl]-1-cyclohexanone hydrochloride IUPAC Name: 2-(4-methoxybenzoyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one hydrochloride Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-6-p-anisoyl-cyclohexanone hydrochloride Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)OC.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)OC.Cl

InChI

InChI=1S/C25H30N2O4.ClH/c1-30-20-10-6-18(7-11-20)24(28)22-4-3-5-23(25(22)29)27-16-14-26(15-17-27)19-8-12-21(31-2)13-9-19;/h6-13,22-23H,3-5,14-17H2,1-2H3;1H