1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-(3,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(4-chlorobenzoyl)piperazino]-3-(3,5-dimethoxyphenyl)propan-1-one Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H25ClN2O4/c1-28-19-13-16(14-20(15-19)29-2)3-8-21(26)24-9-11-25(12-10-24)22(27)17-4-6-18(23)7-5-17/h4-7,13-15H,3,8-12H2,1-2H3