| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20N4O3/c1-12-7-8-17(27-2)16(9-12)24-11-13(10-18(24)25)19(26)23-20-21-14-5-3-4-6-15(14)22-20/h3-9,13H,10-11H2,1-2H3,(H2,21,22,23,26)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | XSNQFQPVHIAZMA-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C)cc1N2C[C@H](CC2=O)C(=O)Nc3[nH]c4ccccc4n3 |
| SMILES | CACTVS | 3.385 | COc1ccc(C)cc1N2C[CH](CC2=O)C(=O)Nc3[nH]c4ccccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccccc4n3)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccccc4n3)OC |
