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36C

Summary
Name:3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
Formula:C17 H11 F4 N3 O2
Formal charge:0
Formula weight:365.282 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
OpenEye OEToolkits1.9.23-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc2nc(c(nc2cc1)C(=O)O)NCc3ccc(F)cc3
InChIInChI1.03InChI=1S/C17H11F4N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)
InChIKeyInChI1.03HUDWVBGXXJRCNV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F
SMILESCACTVS3.385OC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F

223532

数据于2024-08-07公开中

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