種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29) |
InChIKey | InChI | 1.06 | AOPFDRODIHTGFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl |
SMILES | CACTVS | 3.385 | FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC2(CCC(CC2)(F)F)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC2(CCC(CC2)(F)F)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |