Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1c(O)c(OC)cc(c1)C5Nc2ccccc2NC4=C5C(=O)CC(c3ccccc3)C4 |
InChI | InChI | 1.03 | InChI=1S/C26H23ClN2O3/c1-32-23-14-17(11-18(27)26(23)31)25-24-21(28-19-9-5-6-10-20(19)29-25)12-16(13-22(24)30)15-7-3-2-4-8-15/h2-11,14,16,25,28-29,31H,12-13H2,1H3/t16-,25-/m0/s1 |
InChIKey | InChI | 1.03 | OSQNVTKXOKFBHH-LMKMVOKYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(cc(Cl)c1O)[C@@H]2Nc3ccccc3NC4=C2C(=O)C[C@H](C4)c5ccccc5 |
SMILES | CACTVS | 3.370 | COc1cc(cc(Cl)c1O)[CH]2Nc3ccccc3NC4=C2C(=O)C[CH](C4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2 |