NB3
Summary
| Name: | ~{N}-[(1-methylindazol-3-yl)methyl]propanamide |
| Synonyms: | N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor) |
| Formula: | C12 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 217.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(1-methylindazol-3-yl)methyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16) |
| InChIKey | InChI | 1.06 | DEHXEHSVIKWPOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)NCc1nn(C)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CCC(=O)NCc1nn(C)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)NCc1c2ccccc2n(n1)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)NCc1c2ccccc2n(n1)C |
