QF5
Summary
| Name: | N-(isoquinolin-4-yl)-2-phenylacetamide |
| Formula: | C17 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 262.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(isoquinolin-4-yl)-2-phenylacetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-isoquinolin-4-yl-2-phenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccccc1)Nc1cncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H14N2O/c20-17(10-13-6-2-1-3-7-13)19-16-12-18-11-14-8-4-5-9-15(14)16/h1-9,11-12H,10H2,(H,19,20) |
| InChIKey | InChI | 1.06 | IBEFUXAVGLACIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1ccccc1)Nc2cncc3ccccc23 |
| SMILES | CACTVS | 3.385 | O=C(Cc1ccccc1)Nc2cncc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(=O)Nc2cncc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(=O)Nc2cncc3c2cccc3 |
