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UE9

Summary
Name:5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
Formula:C22 H18 F4 N4 O2
Formal charge:0
Formula weight:446.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
OpenEye OEToolkits2.0.75-[[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonylamino]-~{N}-methyl-6-[(2-methylphenyl)amino]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC
InChIInChI1.06InChI=1S/C22H18F4N4O2/c1-12-5-3-4-6-17(12)29-19-18(9-14(11-28-19)20(31)27-2)30-21(32)13-7-15(22(24,25)26)10-16(23)8-13/h3-11H,1-2H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyInChI1.06ZQUWDKRQMSZGSZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(c3)C(F)(F)F)c1
SMILESCACTVS3.385CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(c3)C(F)(F)F)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)F)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)F)C(F)(F)F

223532

數據於2024-08-07公開中

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