3-[2,2-bis(fluoranyl)butyl]-7-(2-chlorophenyl)-8-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a][1,3,5]triazin-4-one

Systemtic Name: 3-[2,2-bis(fluoranyl)butyl]-7-(2-chlorophenyl)-8-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a][1,3,5]triazin-4-one Openeye Name: 7-(2-chlorophenyl)-8-(4-chlorophenyl)-3-(2,2-difluorobutyl)-2-methyl-pyrazolo[1,5-a][1,3,5]triazin-4-one CAS Name: 7-(2-chlorophenyl)-8-(4-chlorophenyl)-3-(2,2-difluorobutyl)-2-methyl-4-pyrazolo[1,5-a][1,3,5]triazinone IUPAC Name: 7-(2-chlorophenyl)-8-(4-chlorophenyl)-3-(2,2-difluorobutyl)-2-methylpyrazolo[1,5-a][1,3,5]triazin-4-one Traditional Name: 7-(2-chlorophenyl)-8-(4-chlorophenyl)-3-(2,2-difluorobutyl)-2-methyl-pyrazolo[1,5-a][1,3,5]triazin-4-one Formula: C22H18Cl2F2N4O MolecularWeight: 463.307326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=NC2=C(C(=NN2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl)C)(F)F

Isomeric SMILES

CCC(CN1C(=NC2=C(C(=NN2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl)C)(F)F

InChI

InChI=1S/C22H18Cl2F2N4O/c1-3-22(25,26)12-29-13(2)27-20-18(14-8-10-15(23)11-9-14)19(28-30(20)21(29)31)16-6-4-5-7-17(16)24/h4-11H,3,12H2,1-2H3