H3Q
Summary
| Name: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine |
| Formula: | C21 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 329.395 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H19N3O/c1-24-12-17(11-22-24)19-8-9-20-21(23-19)18(13-25-20)16-7-3-6-15(10-16)14-4-2-5-14/h3,6-14H,2,4-5H2,1H3 |
| InChIKey | InChI | 1.03 | DDWOGFZIVMALPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2ccc3occ(c4cccc(c4)C5CCC5)c3n2 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2ccc3occ(c4cccc(c4)C5CCC5)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5 |
