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

Systemtic Name: 3-[4-(3-bromanyl-5-fluoranyl-phenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one Openeye Name: 3-[4-(3-bromo-5-fluoro-phenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one CAS Name: 3-[4-(3-bromo-5-fluorophenyl)-1-piperazinyl]-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone IUPAC Name: 3-[4-(3-bromo-5-fluorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Traditional Name: 3-[4-(3-bromo-5-fluoro-phenyl)piperazino]-1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one Formula: C21H22BrFN6O MolecularWeight: 473.341383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC(=C4)Br)F

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC(=C4)Br)F

InChI

InChI=1S/C21H22BrFN6O/c1-15-19(14-26-29(15)21-24-4-2-5-25-21)20(30)3-6-27-7-9-28(10-8-27)18-12-16(22)11-17(23)13-18/h2,4-5,11-14H,3,6-10H2,1H3