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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromo-2-fluoro-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-bromo-2-fluorophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H20BrFN2O4/c21-15-2-4-17(16(22)10-15)26-12-20(25)24-7-5-23(6-8-24)11-14-1-3-18-19(9-14)28-13-27-18/h1-4,9-10H,5-8,11-13H2