| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C29H18Cl2F3N3O3/c30-18-10-12-24-21(14-18)26(36-37(24)27(38)25-22(29(32,33)34)7-4-8-23(25)31)20-11-9-16(28(39)40)13-17(20)15-35-19-5-2-1-3-6-19/h1-14,35H,15H2,(H,39,40) |
| InChIKey | InChI | 1.06 | OSFUNYOHKCIHLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(c(CNc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(c(CNc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O |
