| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc23)c(c1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-6-13(12(9-10)16(24)25)21-8-7-15-11-3-1-2-4-14(11)22-23-15/h1-6,9,21H,7-8H2,(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | WSXHJABEUABMJU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCc2[nH]nc3ccccc23)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCc2[nH]nc3ccccc23)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c([nH]n2)CCNc3ccc(cc3C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c([nH]n2)CCNc3ccc(cc3C(=O)O)C(F)(F)F |
