PY1
Summary
| Name: | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE |
| Formula: | C17 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 272.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline |
| OpenEye OEToolkits | 1.5.0 | 4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3ccc(c1c(nnc1)c2ncccc2)c4ccccc34 |
| SMILES_CANONICAL | CACTVS | 3.341 | [nH]1cc(c2ccnc3ccccc23)c(n1)c4ccccn4 |
| SMILES | CACTVS | 3.341 | [nH]1cc(c2ccnc3ccccc23)c(n1)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4 |
| InChI | InChI | 1.03 | InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21) |
| InChIKey | InChI | 1.03 | IBCXZJCWDGCXQT-UHFFFAOYSA-N |
