3-(1,3-benzodioxol-5-yl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-3-(1,3-benzodioxol-5-yl)-1-propanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-3-(1,3-benzodioxol-5-yl)propan-1-one Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C22H23FN2O4/c1-15(26)17-4-5-19(18(23)13-17)24-8-10-25(11-9-24)22(27)7-3-16-2-6-20-21(12-16)29-14-28-20/h2,4-6,12-13H,3,7-11,14H2,1H3