JHK
Summary
| Name: | ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide |
| Formula: | C21 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 357.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H19N5O/c1-25(2)21(27)14-26-13-18(10-24-26)15-3-5-16(6-4-15)19-12-23-9-17-7-8-22-11-20(17)19/h3-13H,14H2,1-2H3 |
| InChIKey | InChI | 1.03 | OQOHDKVDMBADIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4 |
