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2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-chloranyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SpectraBase Compound ID FPp0dLWcQtI
InChI InChI=1S/C22H22ClF3N4O2S/c23-18-19(21(31)32-12-13-5-3-9-29-8-2-1-6-15(13)29)28-30-17(22(24,25)26)11-14(27-20(18)30)16-7-4-10-33-16/h4,7,10-11,13,15H,1-3,5-6,8-9,12H2
InChIKey UATSORGDFWLUQU-UHFFFAOYSA-N
Mol Weight 498.95 g/mol
Molecular Formula C22H22ClF3N4O2S
Exact Mass 498.110409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 880BdbV3Jaz
Name 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-chloranyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClF3N4O2S
InChI InChI=1S/C22H22ClF3N4O2S/c23-18-19(21(31)32-12-13-5-3-9-29-8-2-1-6-15(13)29)28-30-17(22(24,25)26)11-14(27-20(18)30)16-7-4-10-33-16/h4,7,10-11,13,15H,1-3,5-6,8-9,12H2
InChIKey UATSORGDFWLUQU-UHFFFAOYSA-N
Molecular Weight 498.952 g/mol
SMILES c12[n](C(C(F)(F)F)=CC(=N2)c2sccc2)nc(c1Cl)C(OCC1C2N(CCCC2)CCC1)=O
SPLASH splash10-0udi-1900100000-e0786e87674e0a2eb511
Synonyms 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate 3-Chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid quinolizidin-1-ylmethyl ester 3-Chloro-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester
Wiley ID 1443305