TJK
Summary
| Name: | 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde |
| Synonyms: | PC2068B |
| Formula: | C16 H9 Br2 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 424.062 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H |
| InChIKey | InChI | 1.03 | SJZKTIPXGWBWIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3 |
| SMILES | CACTVS | 3.385 | Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O |
