2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]ethanone Formula: C21H22BrFN2O4 MolecularWeight: 465.312783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H22BrFN2O4/c22-16-2-4-18(17(23)12-16)29-14-21(26)25-7-5-24(6-8-25)13-15-1-3-19-20(11-15)28-10-9-27-19/h1-4,11-12H,5-10,13-14H2