4YI
Summary
| Name: | 2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide |
| Formula: | C19 H15 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 366.801 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+ |
| InChIKey | InChI | 1.03 | JJRNGNCTPCWXGM-WCWDXBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3 |
