CAS Registry Number:764667-65-4
Name:

1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione;

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

Chemical Formula: C16H12F6N4O2
Exact Mass: 406.09
Molecular Weight: 406.28
m/z: 406.09 (100.0%), 407.09 (17.5%), 408.09 (2.1%), 407.08 (1.5%)

InChI
InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2
InChI Key
QAEDTLFWHIEVPK-UHFFFAOYSA-N
Canonical SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(=O)CC3=CC(=C(C=C3F)F)F

Specification

98%

ACS Sustainable Chemistry & Engineering (2019), 7(1), 1038-1051.

U.S. (2018), US 10047094 B1 20180814.