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FQJ

Summary
Name:2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
Formula:C17 H13 Cl2 N3 O
Formal charge:0
Formula weight:346.211 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
OpenEye OEToolkits2.0.62,4-bis(chloranyl)-~{N}-(5-methyl-2-phenyl-pyrazol-3-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1n(c(cc1C)NC(c2ccc(cc2Cl)Cl)=O)c3ccccc3
InChIInChI1.03InChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)
InChIKeyInChI1.03AJPLAFYBSJYISV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)c3ccccc3
SMILESCACTVS3.385Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits2.0.6Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl

217705

PDB entries from 2024-03-27

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