9N2
Summary
| Name: | 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile |
| Formula: | C17 H9 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H9FN2O2/c18-13-5-3-12(8-16(13)21)17(22)14-6-4-11-2-1-10(9-19)7-15(11)20-14/h1-8,21H |
| InChIKey | InChI | 1.03 | LDOZUOMHDNDABQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ccc1F)C(=O)c2ccc3ccc(cc3n2)C#N |
| SMILES | CACTVS | 3.385 | Oc1cc(ccc1F)C(=O)c2ccc3ccc(cc3n2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N |
