種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1c(ccc(c1)Cl)CNC(=O)c2c(cccc2)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22) |
InChIKey | InChI | 1.03 | JPTXMUZNWHRWNU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl |
SMILES | CACTVS | 3.385 | FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F |