A1BSQ
Summary
| Name: | 1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide |
| Formula: | C13 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 245.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-[(3~{S})-oxolan-3-yl]indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC1CCOC1)c1nn(C)c2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O2/c1-16-11-5-3-2-4-10(11)12(15-16)13(17)14-9-6-7-18-8-9/h2-5,9H,6-8H2,1H3,(H,14,17)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | OUXJTKZWAHXWFL-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C(=O)N[C@H]2CCOC2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1nc(C(=O)N[CH]2CCOC2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)N[C@H]3CCOC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NC3CCOC3 |
