A1BVF
Summary
| Name: | 3-(chloromethyl)-1H-indazole-5-carbohydrazide |
| Formula: | C9 H9 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 224.647 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(chloromethyl)-1H-indazole-5-carbohydrazide |
| OpenEye OEToolkits | 3.1.0.0 | 3-(chloromethyl)-1~{H}-indazole-5-carbohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NNC(=O)c1cc2c(cc1)[NH]nc2CCl |
| InChI | InChI | 1.06 | InChI=1S/C9H9ClN4O/c10-4-8-6-3-5(9(15)12-11)1-2-7(6)13-14-8/h1-3H,4,11H2,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.06 | CFZNRPPXQQDQFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=O)c1ccc2[nH]nc(CCl)c2c1 |
| SMILES | CACTVS | 3.385 | NNC(=O)c1ccc2[nH]nc(CCl)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=O)NN)c(n[nH]2)CCl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C(=O)NN)c(n[nH]2)CCl |
