4R9
Summary
| Name: | N-oxidanyl-4-phenyl-butanamide |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-4-phenyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c12-10(11-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,11,12) |
| InChIKey | InChI | 1.03 | UPHXPXYRKPCXHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CCCc1ccccc1 |
| SMILES | CACTVS | 3.385 | ONC(=O)CCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(=O)NO |
