| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-11-16(18(24)21-19(23)25)15-9-5-8-14-10-20-22-17(14)15/h2-12H,1H3,(H,20,22)(H,21,24,25)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | NGIUEWQDJPVTOK-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)N2C=C(C(=O)NC2=O)c3cccc4c3[nH]nc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cccc4c3[nH]nc4 |
