1-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]butan-1-one

Systemtic Name: 1-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]butan-1-one Openeye Name: 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluoro-phenyl]butan-1-one CAS Name: 1-[4-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-3-fluorophenyl]-1-butanone IUPAC Name: 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one Traditional Name: 1-[4-[4-(4-bromobenzoyl)piperazino]-3-fluoro-phenyl]butan-1-one Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O2/c1-2-3-20(26)16-6-9-19(18(23)14-16)24-10-12-25(13-11-24)21(27)15-4-7-17(22)8-5-15/h4-9,14H,2-3,10-13H2,1H3