9MH
Summary
| Name: | 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide |
| Formula: | C18 H14 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 339.32 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14FN3O3/c19-13-5-2-11(7-16(13)23)18(25)14-6-3-10-1-4-12(8-15(10)22-14)21-17(24)9-20/h1-8,23H,9,20H2,(H,21,24) |
| InChIKey | InChI | 1.03 | HEOXKDDZAJDQPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC(=O)Nc1ccc2ccc(nc2c1)C(=O)c3ccc(F)c(O)c3 |
| SMILES | CACTVS | 3.385 | NCC(=O)Nc1ccc2ccc(nc2c1)C(=O)c3ccc(F)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN |
