1-[4-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-5-fluoranyl-2-methyl-phenyl]butan-1-one

Systemtic Name: 1-[4-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-5-fluoranyl-2-methyl-phenyl]butan-1-one Openeye Name: 1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methyl-phenyl]butan-1-one CAS Name: 1-[4-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]-5-fluoro-2-methylphenyl]-1-butanone IUPAC Name: 1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]butan-1-one Traditional Name: 1-[4-[4-(2-bromobenzoyl)piperazino]-5-fluoro-2-methyl-phenyl]butan-1-one Formula: C22H24BrFN2O2 MolecularWeight: 447.340563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)F

InChI

InChI=1S/C22H24BrFN2O2/c1-3-6-21(27)17-14-19(24)20(13-15(17)2)25-9-11-26(12-10-25)22(28)16-7-4-5-8-18(16)23/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3