YCG
Summary
| Name: | [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone |
| Formula: | C18 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 293.363 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O/c1-13-6-4-5-7-15(13)16-12-18(2,3)21(20-16)17(22)14-8-10-19-11-9-14/h4-11H,12H2,1-3H3 |
| InChIKey | InChI | 1.03 | YQBXKJJOBGJGKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C2=NN(C(=O)c3ccncc3)C(C)(C)C2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1C2=NN(C(=O)c3ccncc3)C(C)(C)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3 |
