7RI
Summary
| Name: | 5-bromanyl-N-methyl-1H-indazole-3-carboxamide |
| Synonyms: | 1H-Indazole-3-carboxamide, 5-bromo-N-methyl- |
| Formula: | C9 H8 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 254.083 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1n[nH]c2ccc(Br)cc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1n[nH]c2ccc(Br)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c2cc(ccc2[nH]n1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1c2cc(ccc2[nH]n1)Br |
