S34
Summary
| Name: | 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide |
| Formula: | C9 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 175.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,7H2,(H,12,13) |
| InChIKey | InChI | 1.03 | ACPRFCGKSGKRCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC#N)NCc1ccncc1 |
| SMILES | CACTVS | 3.385 | O=C(CC#N)NCc1ccncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnccc1CNC(=O)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnccc1CNC(=O)CC#N |
