[4-(2-bromanyl-4-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(2-bromanyl-4-fluoranyl-phenyl)carbonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(2-bromo-4-fluoro-benzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-[(2-bromo-4-fluorophenyl)-oxomethyl]-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(2-bromo-4-fluoro-benzoyl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)Br)OC

InChI

InChI=1S/C20H20BrFN2O4/c1-27-17-6-3-13(11-18(17)28-2)19(25)23-7-9-24(10-8-23)20(26)15-5-4-14(22)12-16(15)21/h3-6,11-12H,7-10H2,1-2H3