1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-1-(4-piperonylpiperazino)ethanone Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4/c1-26-18-4-2-15(10-17(18)22)12-21(25)24-8-6-23(7-9-24)13-16-3-5-19-20(11-16)28-14-27-19/h2-5,10-11H,6-9,12-14H2,1H3