QZ8
Summary
| Name: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one |
| Formula: | C13 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 225.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17) |
| InChIKey | InChI | 1.03 | LDYQYDPPCHEKQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3 |
