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[7-[chloranyl-bis(fluoranyl)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SpectraBase Compound ID 1zpKlBIcfHG
InChI InChI=1S/C22H16ClF3N4O2/c1-12-4-5-13-9-14(24)6-7-17(13)29(12)21(31)16-11-20-27-15(18-3-2-8-32-18)10-19(22(23,25)26)30(20)28-16/h2-3,6-12H,4-5H2,1H3
InChIKey DWUCAXYSRJUAQU-UHFFFAOYSA-N
Mol Weight 460.84 g/mol
Molecular Formula C22H16ClF3N4O2
Exact Mass 460.091388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL27hLbJ0f2
Name [7-[chloranyl-bis(fluoranyl)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
Alternate Name(s) [7-[chloro(difluoro)methyl]-5-(2-furanyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone [7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone [7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
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Formula C22H16ClF3N4O2
InChI InChI=1S/C22H16ClF3N4O2/c1-12-4-5-13-9-14(24)6-7-17(13)29(12)21(31)16-11-20-27-15(18-3-2-8-32-18)10-19(22(23,25)26)30(20)28-16/h2-3,6-12H,4-5H2,1H3
InChIKey DWUCAXYSRJUAQU-UHFFFAOYSA-N
Molecular Weight 460.844 g/mol
SMILES CC1N(C(c2n[n]3C(=CC(=Nc3c2)c2occc2)C(Cl)(F)F)=O)c2c(cc(cc2)F)CC1
SPLASH splash10-03di-4920000000-63026ea7e09ce37814a4
Wiley ID 1453905