LJO
Summary
| Name: | (3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide |
| Formula: | C12 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 231.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-cyano-~{N}-(4-methylpyridin-3-yl)oxolane-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1(CCOC1)C(=O)Nc1cnccc1C |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | UDNOYHYGEXMWIJ-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C@]2(CCOC2)C#N |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)[C]2(CCOC2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@]2(CCOC2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2(CCOC2)C#N |
