種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc1c(cc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(Cl)cccc4Cl)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)C(=Cc2cnc(Nc3ccc(F)c(C)c3)nc12)c4c(Cl)cccc4Cl |
SMILES | CACTVS | 3.341 | CN1C(=O)C(=Cc2cnc(Nc3ccc(F)c(C)c3)nc12)c4c(Cl)cccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C |
InChI | InChI | 1.03 | InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27) |
InChIKey | InChI | 1.03 | SLCFEJAMCRLYRG-UHFFFAOYSA-N |