[7-[bis(fluoranyl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: [7-[bis(fluoranyl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]methanone Openeye Name: [4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-[7-(difluoromethyl)-5-(p-tolyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone CAS Name: [4-[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-[7-(difluoromethyl)-5-(4-methylphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: [4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Traditional Name: [4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazino]-[7-(difluoromethyl)-5-(p-tolyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone Formula: C24H22BrF2N7O2 MolecularWeight: 558.377986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN(CC4)C(=O)C5=NN(C=C5Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN(CC4)C(=O)C5=NN(C=C5Br)C

InChI

InChI=1S/C24H22BrF2N7O2/c1-14-3-5-15(6-4-14)18-11-19(21(26)27)34-22(29-18)16(12-28-34)23(35)32-7-9-33(10-8-32)24(36)20-17(25)13-31(2)30-20/h3-6,11-13,21H,7-10H2,1-2H3