| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C18H16N4O2/c1-11(22-10-12-6-2-3-7-13(12)17(22)24)16(23)21-18-19-14-8-4-5-9-15(14)20-18/h2-9,11H,10H2,1H3,(H2,19,20,21,23)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | PWSSISUOJZBZFT-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3 |
| SMILES | CACTVS | 3.385 | C[CH](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O |
