TJB
Summary
| Name: | 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde |
| Synonyms: | LvD1017 |
| Formula: | C16 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 282.724 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H |
| InChIKey | InChI | 1.03 | ZMPWFMLHEAZXIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(ccc1C=O)n2ccnc2c3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1cc(ccc1C=O)n2ccnc2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O |
