Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2c1ccccc1ccc2)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4cccc(N)c4 |
SMILES | CACTVS | 3.341 | CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)c4cccc(N)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4 |
InChI | InChI | 1.03 | InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30) |
InChIKey | InChI | 1.03 | HJWMLCDGRWWLAQ-UHFFFAOYSA-N |