2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-(4-p-toluoylpiperazino)propan-1-one Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C21H22BrFN2O3/c1-14-3-5-16(6-4-14)21(27)25-11-9-24(10-12-25)20(26)15(2)28-19-8-7-17(23)13-18(19)22/h3-8,13,15H,9-12H2,1-2H3