A1EAP
Summary
| Name: | 3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile |
| Synonyms: | Lingdolinurad |
| Formula: | C17 H12 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 370.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3 |
| InChIKey | InChI | 1.06 | RQGCKMOCOOAGEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc2ccccn2c1C(=O)c3cc(Br)c(O)c(c3)C#N |
| SMILES | CACTVS | 3.385 | CCc1nc2ccccn2c1C(=O)c3cc(Br)c(O)c(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(n2ccccc2n1)C(=O)c3cc(c(c(c3)Br)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(n2ccccc2n1)C(=O)c3cc(c(c(c3)Br)O)C#N |
