Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(\C=C)Nc4cccc(Oc1nc(ncc1Cl)Nc2ccc(cc2OC)N3CCN(C)CC3)c4 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(ccc1Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)N4CCN(C)CC4 |
SMILES | CACTVS | 3.352 | COc1cc(ccc1Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)N4CCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl |
InChI | InChI | 1.03 | InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) |
InChIKey | InChI | 1.03 | ITTRLTNMFYIYPA-UHFFFAOYSA-N |