| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-22(2)10-16-17(13-5-3-4-6-15(13)20-16)18-14-9-11(23)7-8-12(14)19(24)21-18/h3-9,18,20,23H,10H2,1-2H3,(H,21,24)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | MPCMVISHWIWVIQ-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1[nH]c2ccccc2c1[C@H]3NC(=O)c4ccc(O)cc34 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1[nH]c2ccccc2c1[CH]3NC(=O)c4ccc(O)cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1c(c2ccccc2[nH]1)C3c4cc(ccc4C(=O)N3)O |
