| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | FUKXXBXVSANFJK-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F |
