Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3)C)COc4ccccc4C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2 |
SMILES | CACTVS | 3.370 | Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C |
InChI | InChI | 1.03 | InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27) |
InChIKey | InChI | 1.03 | LKAZLKLHUAIYCE-UHFFFAOYSA-N |