Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC)c1ccccc1Nc2nc(ncc2Cl)Nc4c(OC)cc(N3CCOCC3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3OC)N4CCOCC4)ncc2Cl |
SMILES | CACTVS | 3.341 | CNC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3OC)N4CCOCC4)ncc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29) |
InChIKey | InChI | 1.03 | UYJNQQDJUOUFQJ-UHFFFAOYSA-N |