種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24) |
InChIKey | InChI | 1.03 | LYLJXIKZRAZYFB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(CC4CCNCC4)c2n1 |
SMILES | CACTVS | 3.385 | NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(CC4CCNCC4)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl |