3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 3-[4-(3-chlorophenyl)piperazino]-1-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)19(26)7-8-24-9-11-25(12-10-24)18-6-4-5-17(23)15-18/h4-6,13-15H,7-12H2,1-3H3