種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4c(NC(=O)C1CC(F)(F)CN(C1)C(c3cccc(c2occc2)c3)=O)ccc(c4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H19ClF2N2O3/c24-18-6-8-19(9-7-18)27-21(29)17-12-23(25,26)14-28(13-17)22(30)16-4-1-3-15(11-16)20-5-2-10-31-20/h1-11,17H,12-14H2,(H,27,29)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | PMTPYUTZAJWGPE-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC1(F)C[C@@H](CN(C1)C(=O)c2cccc(c2)c3occc3)C(=O)Nc4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | FC1(F)C[CH](CN(C1)C(=O)c2cccc(c2)c3occc3)C(=O)Nc4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)N2CC(CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4 |