OZX
Summary
| Name: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
| Formula: | C16 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 297.739 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(6-chloranylpyridin-2-yl)-~{N}-isoquinolin-4-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1 |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21) |
| InChIKey | InChI | 1.06 | YZQKBSHQXMHNSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cncc3ccccc23)n1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cncc3ccccc23)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl |
