| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+ |
| InChIKey | InChI | 1.03 | BWBPGOKJGLWQEA-NBEIKUQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N[C@]2(C[C@H](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45 |
| SMILES | CACTVS | 3.385 | O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5 |
