1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-26-18-11-15(12-19(27-2)21(18)28-3)13-20(25)24-9-7-23(8-10-24)17-6-4-5-16(22)14-17/h4-6,11-12,14H,7-10,13H2,1-3H3