QE3
Summary
| Name: | 2-(5-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-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(5-chloranylpyridin-2-yl)-~{N}-isoquinolin-4-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(Cl)cn1)Nc1cncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClN3O/c17-12-5-6-13(19-9-12)7-16(21)20-15-10-18-8-11-3-1-2-4-14(11)15/h1-6,8-10H,7H2,(H,20,21) |
| InChIKey | InChI | 1.06 | RMUFMFDOQHTPNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CC(=O)Nc2cncc3ccccc23)nc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CC(=O)Nc2cncc3ccccc23)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cn3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cn3)Cl |
