UGG
Summary
| Name: | 2-(isoquinolin-4-yl)-N-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 | 2-(isoquinolin-4-yl)-N-phenylacetamide |
| OpenEye OEToolkits | 2.0.7 | 2-isoquinolin-4-yl-~{N}-phenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1ccccc1)C(=O)Cc2c3c(cnc2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O/c20-17(19-15-7-2-1-3-8-15)10-14-12-18-11-13-6-4-5-9-16(13)14/h1-9,11-12H,10H2,(H,19,20) |
| InChIKey | InChI | 1.03 | XBRJTBLYIAYTOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cncc2ccccc12)Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cncc2ccccc12)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3 |
