7RI
5-bromanyl-N-methyl-1H-indazole-3-carboxamide
Created: | 2021-08-23 |
Last modified: | 2021-10-20 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
---|---|
Name | 5-bromanyl-N-methyl-1H-indazole-3-carboxamide |
Synonyms | 1H-Indazole-3-carboxamide, 5-bromo-N-methyl- |
Systematic Name (OpenEye OEToolkits) | 5-bromanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide |
Formula | C9 H8 Br N3 O |
Molecular Weight | 254.083 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CNC(=O)c1n[nH]c2ccc(Br)cc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c2cc(ccc2[nH]n1)Br |
Canonical SMILES | CACTVS | 3.385 | CNC(=O)c1n[nH]c2ccc(Br)cc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c2cc(ccc2[nH]n1)Br |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | LZKFBFNVDKRHMH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 70896114 |