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

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4/c1-27-19-14-16(15-20(28-2)22(19)29-3)4-9-21(26)25-12-10-24(11-13-25)18-7-5-17(23)6-8-18/h5-8,14-15H,4,9-13H2,1-3H3