methyl 2-[[7-[bis(fluoranyl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[7-[bis(fluoranyl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[7-(difluoromethyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[7-(difluoromethyl)-5-phenyl-3-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[7-(difluoromethyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C22H16F2N4O3 MolecularWeight: 422.384246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H16F2N4O3/c1-31-22(30)14-9-5-6-10-16(14)27-21(29)15-12-25-28-18(19(23)24)11-17(26-20(15)28)13-7-3-2-4-8-13/h2-12,19H,1H3,(H,27,29)