4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one

Systemtic Name: 4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Openeye Name: 4-[(2-bromo-4-fluoro-phenyl)methyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one CAS Name: 4-[(2-bromo-4-fluorophenyl)methyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-piperazinone IUPAC Name: 4-[(2-bromo-4-fluorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one Traditional Name: 4-(2-bromo-4-fluoro-benzyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Formula: C22H22BrFN4O MolecularWeight: 457.338683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC4=C(C=C(C=C4)F)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C22H22BrFN4O/c1-14-20(15(2)28(26-14)18-6-4-3-5-7-18)21-22(29)25-10-11-27(21)13-16-8-9-17(24)12-19(16)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,25,29)