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Details

Stereochemistry RACEMIC
Molecular Formula C32H25F12N9O2
Molecular Weight 795.5808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

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

SMILES

FC1=CC(F)=C(CC(CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)NC(CC4=C(F)C=C(F)C(F)=C4)=CC(=O)N5CCN6C(C5)=NN=C6C(F)(F)F)C=C1F

InChI

InChIKey=QQZZEIJGJLNXPW-RQZCQDPDSA-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+

HIDE SMILES / InChI

Approval Year

Name Type Language
3-[[4-Oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-yl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
Systematic Name English
1,2,4-Triazolo[4,3-a]pyrazine, 7-[3-[[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]-1-propenyl]amino]-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-
Preferred Name English
1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[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]-1-propen-1-yl]amino]-4-(2,4,5-trifluorophenyl)-1-butanone
Systematic Name English
1-Butanone, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-[[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]-1-propen-1-yl]amino]-4-(2,4,5-trifluorophenyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
LGF8MF3B8B
Created by admin on Wed Apr 02 17:30:55 GMT 2025 , Edited by admin on Wed Apr 02 17:30:55 GMT 2025
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CAS
898543-70-9
Created by admin on Wed Apr 02 17:30:55 GMT 2025 , Edited by admin on Wed Apr 02 17:30:55 GMT 2025
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PUBCHEM
57355555
Created by admin on Wed Apr 02 17:30:55 GMT 2025 , Edited by admin on Wed Apr 02 17:30:55 GMT 2025
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EPA CompTox
DTXSID40723221
Created by admin on Wed Apr 02 17:30:55 GMT 2025 , Edited by admin on Wed Apr 02 17:30:55 GMT 2025
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