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XJR

Summary
Name:N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Synonyms:N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide
Formula:C20 H21 N3 O4
Formal charge:0
Formula weight:367.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H21N3O4/c1-14-19(20(25)23(22(14)2)15-7-5-4-6-8-15)21-18(24)13-27-17-11-9-16(26-3)10-12-17/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyInChI1.06KFGTZDFVOVOTTI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1
SMILESCACTVS3.385COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)COc3ccc(cc3)OC
SMILESOpenEye OEToolkits2.0.7CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)COc3ccc(cc3)OC

223532

PDB entries from 2024-08-07

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