77X
Summary
| Name: | 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one |
| Formula: | C15 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 255.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O/c1-2-14(19)18-9-8-13-12(10-18)15(17-16-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | DVIQMCGALYMKFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCc2[nH]nc(c2C1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCc2[nH]nc(c2C1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1 |
