Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1c(nc(nc1)Nc2ccc(cc2)CCN3CCOCC3)c4ccc(cc4)C(N)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(N)c1ccc(cc1)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2Cl |
SMILES | CACTVS | 3.341 | CC(C)(N)c1ccc(cc1)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N |
InChI | InChI | 1.03 | InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30) |
InChIKey | InChI | 1.03 | CJSSYVIHFXDFFC-UHFFFAOYSA-N |