種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n2(c(c(C)c(C(=O)NN1CCCCC1)n2)c3ccc(cc3)Cl)c4c(Cl)cc(cc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) |
InChIKey | InChI | 1.03 | JZCPYUJPEARBJL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4 |
SMILES | CACTVS | 3.385 | Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl |