| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cccc2Cl)C3CC3F |
| InChI | InChI | 1.03 | InChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(18)14(10)16(24)21-8-4-5-20-13(6-8)22-15(23)9-7-12(9)19/h1-6,9,12H,7H2,(H2,20,21,22,23,24)/t9-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | RBNYBLHXBHWSCZ-JOYOIKCWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | F[C@@H]1C[C@@H]1C(=O)Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2 |
| SMILES | CACTVS | 3.370 | F[CH]1C[CH]1C(=O)Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3F)Cl |
