2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(4-ethylbenzoyl)piperazino]ethanone Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

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