JV8
Summary
| Name: | ~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide |
| Formula: | C18 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | PEVCERQGPZRIFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2 |
