JH8
Summary
| Name: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide |
| Formula: | C22 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 356.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3 |
| InChIKey | InChI | 1.03 | WULUGQONDYDNKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4 |
