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ID0

Summary
Name:N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Formula:C9 H13 N3 O
Formal charge:0
Formula weight:179.219 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-methyl-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H13N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyInChI1.06WWXNJFGNHRDWHB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1n[nH]c2CCCCc12
SMILESCACTVS3.385CNC(=O)c1n[nH]c2CCCCc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)c1c2c([nH]n1)CCCC2
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1c2c([nH]n1)CCCC2

222624

数据于2024-07-17公开中

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