Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1ccccc1)Nc3cc(nn3c2cc(ccc2)N)C(C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)c3cccc(N)c3 |
SMILES | CACTVS | 3.341 | CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)c3cccc(N)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26) |
InChIKey | InChI | 1.03 | DHNYNLNKNQJSHF-UHFFFAOYSA-N |