U82
Summary
| Name: | 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine |
| Synonyms: | 3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine |
| Formula: | C20 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 317.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H19N3O/c1-20(2,3)15-6-4-13(5-7-15)16-12-24-18-9-8-17(23-19(16)18)14-10-21-22-11-14/h4-12H,1-3H3,(H,21,22) |
| InChIKey | InChI | 1.03 | OOLXXVMFVSTNLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)c2coc3ccc(nc23)c4c[nH]nc4 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)c2coc3ccc(nc23)c4c[nH]nc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4 |
