Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2c1ccccc1ccc2)Nc4cc(nn4c3ccc(cc3)CO)C(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C25H26N4O2/c1-25(2,3)22-15-23(29(28-22)19-13-11-17(16-30)12-14-19)27-24(31)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-15,30H,16H2,1-3H3,(H2,26,27,31) |
InChIKey | InChI | 1.03 | MKYJHFRHAZBFKJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4ccc(CO)cc4 |
SMILES | CACTVS | 3.370 | CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4ccc(CO)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4 |