| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1)C1=CC(=O)n2nc(c(CC)c2N1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C21H17N3O3/c1-2-16-19(13-7-4-3-5-8-13)23-24-18(25)12-17(22-20(16)24)14-9-6-10-15(11-14)21(26)27/h3-12,22H,2H2,1H3,(H,26,27) |
| InChIKey | InChI | 1.06 | BMSJJJWMBISUQX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c2NC(=CC(=O)n2nc1c3ccccc3)c4cccc(c4)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1c2NC(=CC(=O)n2nc1c3ccccc3)c4cccc(c4)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(nn2c1NC(=CC2=O)c3cccc(c3)C(=O)O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(nn2c1NC(=CC2=O)c3cccc(c3)C(=O)O)c4ccccc4 |
