Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc(c(Cl)cc1)Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1 |
SMILES | CACTVS | 3.341 | CN(C)C[CH](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | GNLAGGCSJGJECE-INIZCTEOSA-N |