3KX
Summary
| Name: | 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one |
| Formula: | C18 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 283.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-(cyclohexylmethyl)-4-oxidanyl-3-phenyl-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21) |
| InChIKey | InChI | 1.03 | UVVRYOIOMHFQGU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(C(=O)NC(=C1)CC2CCCCC2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC1=C(C(=O)NC(=C1)CC2CCCCC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O |
