Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc4cccc(Cl)c4N2C(=O)N(c1nc(ncc1C2)Nc3ccc(OCN(CC)CC)cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1 |
SMILES | CACTVS | 3.341 | CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C |
InChI | InChI | 1.03 | InChI=1S/C24H26Cl2N6O2/c1-4-31(5-2)15-34-18-11-9-17(10-12-18)28-23-27-13-16-14-32(24(33)30(3)22(16)29-23)21-19(25)7-6-8-20(21)26/h6-13H,4-5,14-15H2,1-3H3,(H,27,28,29) |
InChIKey | InChI | 1.03 | MROKTXFTKSWSMO-UHFFFAOYSA-N |