QEX
Summary
| Name: | N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide |
| Formula: | C18 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 276.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-isoquinolin-4-yl-2-(3-methylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C18H16N2O/c1-13-5-4-6-14(9-13)10-18(21)20-17-12-19-11-15-7-2-3-8-16(15)17/h2-9,11-12H,10H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | VGTLCIFBGULFDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 |
