1-[4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone

Systemtic Name: 1-[4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone Openeye Name: 1-[4-(4-bromo-3,5-dimethoxy-benzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone Traditional Name: 1-[4-(4-bromo-3,5-dimethoxy-benzoyl)piperazino]-2-(4-fluorophenyl)ethanone Formula: C21H22BrFN2O4 MolecularWeight: 465.312783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O4/c1-28-17-12-15(13-18(29-2)20(17)22)21(27)25-9-7-24(8-10-25)19(26)11-14-3-5-16(23)6-4-14/h3-6,12-13H,7-11H2,1-2H3