4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-butanone IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-1-(3,4,5-trimethoxyphenyl)butan-1-one Formula: C23H29FN2O4 MolecularWeight: 416.485763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C23H29FN2O4/c1-28-21-15-17(16-22(29-2)23(21)30-3)20(27)9-6-10-25-11-13-26(14-12-25)19-8-5-4-7-18(19)24/h4-5,7-8,15-16H,6,9-14H2,1-3H3