B0Q
Summary
| Name: | ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide |
| Formula: | C18 H16 N6 O |
| Formal charge: | 0 |
| Formula weight: | 332.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16N6O/c1-23-16-11-14(7-8-15(16)21-22-23)20-18(25)17-19-9-10-24(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,25) |
| InChIKey | InChI | 1.03 | KXKQPHQDIFTLEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnc2ccc(NC(=O)c3nccn3Cc4ccccc4)cc12 |
| SMILES | CACTVS | 3.385 | Cn1nnc2ccc(NC(=O)c3nccn3Cc4ccccc4)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4 |
