1-[4-[4-(2-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(2-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-(2-bromobenzoyl)-3-methyl-piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[(2-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-(2-bromobenzoyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-(2-bromobenzoyl)-3-methyl-piperazino]-3-fluoro-phenyl]ethanone Formula: C20H20BrFN2O2 MolecularWeight: 419.287403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2Br)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Br)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H20BrFN2O2/c1-13-12-23(19-8-7-15(14(2)25)11-18(19)22)9-10-24(13)20(26)16-5-3-4-6-17(16)21/h3-8,11,13H,9-10,12H2,1-2H3