2-(4-bromanyl-3,5-dimethoxy-phenoxy)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-3,5-dimethoxy-phenoxy)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-3,5-dimethoxy-phenoxy)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-3,5-dimethoxyphenoxy)-1-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-3,5-dimethoxyphenoxy)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-3,5-dimethoxy-phenoxy)-1-[4-(4-fluorobenzyl)piperazino]ethanone Formula: C21H24BrFN2O4 MolecularWeight: 467.328663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24BrFN2O4/c1-27-18-11-17(12-19(28-2)21(18)22)29-14-20(26)25-9-7-24(8-10-25)13-15-3-5-16(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3