| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) |
| InChIKey | InChI | 1.03 | CPMQCYVAAOTGPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc(Cl)cc1)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O |
| SMILES | CACTVS | 3.385 | CN(Cc1ccc(Cl)cc1)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4 |
