NXI
Summary
| Name: | ~{N}-(1~{H}-indazol-5-ylmethyl)propanamide |
| Synonyms: | N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor) |
| Formula: | C11 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 203.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1~{H}-indazol-5-ylmethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.06 | QYEZEWINHDDRMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)NCc1ccc2[nH]ncc2c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)NCc1ccc2[nH]ncc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)NCc1ccc2c(c1)cn[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)NCc1ccc2c(c1)cn[nH]2 |
