種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(c(Cl)c(c(c(c1)OC)Cl)COc3cnc(Nc2c(cc(cc2NC(CC)=O)Cl)Cl)nc3)OC |
InChI | InChI | 1.03 | InChI=1S/C22H20Cl4N4O4/c1-4-18(31)29-15-6-11(23)5-14(24)21(15)30-22-27-8-12(9-28-22)34-10-13-19(25)16(32-2)7-17(33-3)20(13)26/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30) |
InChIKey | InChI | 1.03 | PKLZCNWCSPPNIU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cc(Cl)cc(Cl)c1Nc2ncc(OCc3c(Cl)c(OC)cc(OC)c3Cl)cn2 |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1cc(Cl)cc(Cl)c1Nc2ncc(OCc3c(Cl)c(OC)cc(OC)c3Cl)cn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl |