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A1CAS

Summary
Name:2-fluoro-N-(isoquinolin-4-yl)-5-(trifluoromethyl)benzamide
Formula:C17 H10 F4 N2 O
Formal charge:0
Formula weight:334.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-fluoro-N-(isoquinolin-4-yl)-5-(trifluoromethyl)benzamide
OpenEye OEToolkits3.1.0.02-fluoranyl-~{N}-isoquinolin-4-yl-5-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1cc(c(F)cc1)C(=O)Nc1cncc2ccccc21
InChIInChI1.06InChI=1S/C17H10F4N2O/c18-14-6-5-11(17(19,20)21)7-13(14)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24)
InChIKeyInChI1.06CFJHQKCYXRNORA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1C(=O)Nc2cncc3ccccc23)C(F)(F)F
SMILESCACTVS3.385Fc1ccc(cc1C(=O)Nc2cncc3ccccc23)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)cncc2NC(=O)c3cc(ccc3F)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)cncc2NC(=O)c3cc(ccc3F)C(F)(F)F

250835

PDB entries from 2026-03-18

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