893
Summary
| Name: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE |
| Synonyms: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPICOLINAMIDE 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE |
| Formula: | C18 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 341.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxy-pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1nc(OCC)c(C#N)cc1)NCc2cc(OC)ccc2OC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1nc(ccc1C#N)C(=O)NCc2cc(OC)ccc2OC |
| SMILES | CACTVS | 3.341 | CCOc1nc(ccc1C#N)C(=O)NCc2cc(OC)ccc2OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22) |
| InChIKey | InChI | 1.03 | VEGKZYFYGCWXMN-UHFFFAOYSA-N |
