7RI

5-bromanyl-N-methyl-1H-indazole-3-carboxamide

Created:2021-08-23
Last modified:  2021-10-20

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count10
2D diagram of 7RI

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Chemical Component Summary

Name5-bromanyl-N-methyl-1H-indazole-3-carboxamide
Synonyms1H-Indazole-3-carboxamide, 5-bromo-N-methyl-
Systematic Name (OpenEye OEToolkits)5-bromanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
FormulaC9 H8 Br N3 O
Molecular Weight254.083
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNC(=O)c1n[nH]c2ccc(Br)cc12
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1c2cc(ccc2[nH]n1)Br
Canonical SMILESCACTVS3.385 CNC(=O)c1n[nH]c2ccc(Br)cc12
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1c2cc(ccc2[nH]n1)Br
InChIInChI1.03 InChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyInChI1.03 LZKFBFNVDKRHMH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 70896114