28O
Summary
| Name: | 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one |
| Formula: | C16 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 257.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-(3-tert-butyl-4-methoxy-phenyl)-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C(c1cc(c(OC)cc1)C(C)(C)C)=CC=CN2 |
| InChI | InChI | 1.03 | InChI=1S/C16H19NO2/c1-16(2,3)13-10-11(7-8-14(13)19-4)12-6-5-9-17-15(12)18/h5-10H,1-4H3,(H,17,18) |
| InChIKey | InChI | 1.03 | JFZKILSPVGSTPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1C(C)(C)C)C2=CC=CNC2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1C(C)(C)C)C2=CC=CNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O |
