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5T2

Summary
Name:2-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:C20 H16 F3 N3 O
Formal charge:0
Formula weight:371.356 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.42-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27)
InChIKeyInChI1.03BLAFVGLBBOPRLP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc3ccncc3)c1
SMILESCACTVS3.385FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc3ccncc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3
SMILESOpenEye OEToolkits2.0.4c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3

223790

PDB entries from 2024-08-14

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