| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C27H19N3O4/c31-26(32)21-12-11-20(16-22(21)27(33)34)28-25-24(18-9-5-2-6-10-18)29-23-15-19(13-14-30(23)25)17-7-3-1-4-8-17/h1-16,28H,(H,31,32)(H,33,34) |
| InChIKey | InChI | 1.03 | HYJWOPNEPKVJHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5ccccc5)cc1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5ccccc5)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccccc5 |
