Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cc(ccc1OC)\C=N\NC(=O)Cc1cccc2ccccc21 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+ |
InChIKey | InChI | 1.03 | MMJUJYOIYOJEPL-HYARGMPZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=N\NC(=O)Cc2cccc3ccccc23)cc1OC |
SMILES | CACTVS | 3.385 | COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)C=NNC(=O)Cc2cccc3c2cccc3 |