| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c5c(ccc(c1ccc4c(c1)nnc4c3nc2ccccc2n3)c5CC)O |
| InChI | InChI | 1.03 | InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.03 | CSLGOZXFBHTYAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(O)ccc1c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2 |
| SMILES | CACTVS | 3.385 | CCc1cc(O)ccc1c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O |
