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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-fluoro-4-methoxy-phenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-fluoro-4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C22H25FN2O4/c1-27-19-5-2-16(12-18(19)23)4-7-22(26)25-10-8-24(9-11-25)14-17-3-6-20-21(13-17)29-15-28-20/h2-3,5-6,12-13H,4,7-11,14-15H2,1H3