FBX
Summary
| Name: | ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate |
| Synonyms: | Retigabine, Ezogabine |
| Formula: | C16 H18 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 303.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | PCOBBVZJEWWZFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
| SMILES | CACTVS | 3.385 | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F |
