Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC |
InChI | InChI | 1.06 | InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30) |
InChIKey | InChI | 1.06 | LYHHSOLAJMTQKZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1c(Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4OCC(C)(C)OC |
SMILES | CACTVS | 3.385 | COc1c(Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4OCC(C)(C)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(COc1cnccc1c2c(c3c([nH]2)CCNC3=O)Nc4cccc(c4OC)Cl)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(COc1cnccc1c2c(c3c([nH]2)CCNC3=O)Nc4cccc(c4OC)Cl)OC |