A1BSD
Summary
| Name: | N-[(2R)-1-methoxypropan-2-yl]-1-methyl-1H-indazole-3-carboxamide |
| Formula: | C13 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 247.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(2R)-1-methoxypropan-2-yl]-1-methyl-1H-indazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(2~{S})-1-methoxypropan-2-yl]-1-methyl-indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(COC)NC(=O)c1nn(C)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3O2/c1-9(8-18-3)14-13(17)12-10-6-4-5-7-11(10)16(2)15-12/h4-7,9H,8H2,1-3H3,(H,14,17) |
| InChIKey | InChI | 1.06 | UFYNWTYMVOYUIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@H](C)NC(=O)c1nn(C)c2ccccc12 |
| SMILES | CACTVS | 3.385 | COC[CH](C)NC(=O)c1nn(C)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](COC)NC(=O)c1c2ccccc2n(n1)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(COC)NC(=O)c1c2ccccc2n(n1)C |
