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T60

Summary
Name:ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate
Synonyms:ethyl 4-(3-(4-(1H-pyrazol-1-yl)benzyl)ureido)benzoate
Formula:C20 H20 N4 O3
Formal charge:0
Formula weight:364.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H20N4O3/c1-2-27-19(25)16-6-8-17(9-7-16)23-20(26)21-14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H2,21,23,26)
InChIKeyInChI1.06KQUKHINHCUELQL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1ccc(NC(=O)NCc2ccc(cc2)n3cccn3)cc1
SMILESCACTVS3.385CCOC(=O)c1ccc(NC(=O)NCc2ccc(cc2)n3cccn3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)c1ccc(cc1)NC(=O)NCc2ccc(cc2)n3cccn3
SMILESOpenEye OEToolkits2.0.7CCOC(=O)c1ccc(cc1)NC(=O)NCc2ccc(cc2)n3cccn3

223532

PDB entries from 2024-08-07

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