A1BRH
Summary
| Name: | N-[(1H-imidazol-4-yl)methyl]-1-methyl-1H-indazole-3-carboxamide |
| Formula: | C13 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 255.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1H-imidazol-4-yl)methyl]-1-methyl-1H-indazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1~{H}-imidazol-4-ylmethyl)-1-methyl-indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1c[NH]cn1)c1nn(C)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H13N5O/c1-18-11-5-3-2-4-10(11)12(17-18)13(19)15-7-9-6-14-8-16-9/h2-6,8H,7H2,1H3,(H,14,16)(H,15,19) |
| InChIKey | InChI | 1.06 | FWZMGOFFERWMMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C(=O)NCc2c[nH]cn2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1nc(C(=O)NCc2c[nH]cn2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NCc3c[nH]cn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NCc3c[nH]cn3 |
