(2R)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C16H18BrF3N6O MolecularWeight: 447.25293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C(F)(F)F)Br

InChI

InChI=1S/C16H18BrF3N6O/c1-10-12(17)13(16(18,19)20)23-26(10)11(2)14(27)24-6-8-25(9-7-24)15-21-4-3-5-22-15/h3-5,11H,6-9H2,1-2H3/t11-/m1/s1