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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H25F12N9O2
Molecular Weight 795.5808
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-((4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one, (R,Z)-

SMILES

FC1=CC(F)=C(C[C@H](CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)N\C(CC4=C(F)C=C(F)C(F)=C4)=C/C(=O)N5CCN6C(C5)=NN=C6C(F)(F)F)C=C1F

InChI

InChIKey=QQZZEIJGJLNXPW-ZTXRYZOMSA-N
InChI=1S/C32H25F12N9O2/c33-19-11-23(37)21(35)7-15(19)5-17(9-27(54)50-1-3-52-25(13-50)46-48-29(52)31(39,40)41)45-18(6-16-8-22(36)24(38)12-20(16)34)10-28(55)51-2-4-53-26(14-51)47-49-30(53)32(42,43)44/h7-9,11-12,18,45H,1-6,10,13-14H2/b17-9-/t18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2Z)-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]amino]-4-(2,4,5-trifluorophenyl)-2-buten-1-one
Preferred Name English
3-((4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one, (R,Z)-
Systematic Name English
(R,Z)-3-((4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one
Systematic Name English
2-Buten-1-one, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]amino]-4-(2,4,5-trifluorophenyl)-, (
Systematic Name English
Code System Code Type Description
FDA UNII
2K5Y6P3GZ2
Created by admin on Wed Apr 02 20:21:16 GMT 2025 , Edited by admin on Wed Apr 02 20:21:16 GMT 2025
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CAS
2955636-26-5
Created by admin on Wed Apr 02 20:21:16 GMT 2025 , Edited by admin on Wed Apr 02 20:21:16 GMT 2025
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PUBCHEM
163202906
Created by admin on Wed Apr 02 20:21:16 GMT 2025 , Edited by admin on Wed Apr 02 20:21:16 GMT 2025
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