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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O4/c1-27-20-14-16(15-21(28-2)22(20)29-3)19(26)8-9-24-10-12-25(13-11-24)18-6-4-17(23)5-7-18/h4-7,14-15H,8-13H2,1-3H3