YBP
Summary
| Name: | ~{N}-(8-chloranylquinolin-2-yl)propanamide |
| Formula: | C12 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 234.682 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(8-chloranylquinolin-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11ClN2O/c1-2-11(16)14-10-7-6-8-4-3-5-9(13)12(8)15-10/h3-7H,2H2,1H3,(H,14,15,16) |
| InChIKey | InChI | 1.06 | YMMWAAJZXZXXIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc2cccc(Cl)c2n1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc2cccc(Cl)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc2cccc(c2n1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc2cccc(c2n1)Cl |
