6XB
Summary
| Name: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone |
| Formula: | C14 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 256.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | ZXIJCVCJLDGJRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1 |
