種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cc(F)cc(F)c1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C |
InChI | InChI | 1.03 | InChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33) |
InChIKey | InChI | 1.03 | OEBVYNULNKSONR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c3cc(ccc13)C(=O)NCc4c(F)cc(F)cc4F |
SMILES | CACTVS | 3.385 | CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c3cc(ccc13)C(=O)NCc4c(F)cc(F)cc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C |