| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c1-15-11-2-8-5-16(7-17)6-13(8,15)12(18)10-4-14-3-9(10)11/h3-4,7-8,11,14H,2,5-6H2,1H3/t8-,11-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | HQZKECRFEYSMAO-LJUAHTATSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H]2C[C@H]3CN(C[C@@]13C(=O)c4c[nH]cc24)C=O |
| SMILES | CACTVS | 3.385 | CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C2CC3C1(CN(C3)C=O)C(=O)c4c2c[nH]c4 |
