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M7I

Summary
Name:5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione
Formula:C13 H11 F3 N2 O2
Formal charge:0
Formula weight:284.234 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione
OpenEye OEToolkits2.0.75-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dihydropyrazine-2,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(CCc2ccc(cc2)C(F)(F)F)=CNC1=O
InChIInChI1.03InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-17-11(19)12(20)18-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)
InChIKeyInChI1.03YIASGIMSIFVHQL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(CCC2=CNC(=O)C(=O)N2)cc1
SMILESCACTVS3.385FC(F)(F)c1ccc(CCC2=CNC(=O)C(=O)N2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1CCC2=CNC(=O)C(=O)N2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CCC2=CNC(=O)C(=O)N2)C(F)(F)F

223790

PDB entries from 2024-08-14

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