9WB
Summary
| Name: | 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one |
| Formula: | C13 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 199.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | OGQGCZKEXJDIHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=C(C)N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=C(C)N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)C(=C(N1)C)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)C(=C(N1)C)c2ccccc2 |
