LJ0
Summary
| Name: | (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide |
| Formula: | C14 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 230.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (1~{R},6~{S})-~{N}-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C1C2CCCCC21 |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+ |
| InChIKey | InChI | 1.06 | UPGQLXSOIHDKRZ-PJXYFTJBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)C2[C@@H]3CCCC[C@H]23 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)C2[CH]3CCCC[CH]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2[C@H]3[C@@H]2CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2C3C2CCCC3 |
