| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(F)c(Cl)cc2c(c1)C(=O)N(C=N2)CC(=O)CC3NCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H17ClFN3O2/c17-13-7-15-12(6-14(13)18)16(23)21(9-20-15)8-11(22)5-10-3-1-2-4-19-10/h6-7,9-10,19H,1-5,8H2/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | LZMOBHASNVDDQN-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc2C(=O)N(CC(=O)C[C@@H]3CCCCN3)C=Nc2cc1Cl |
| SMILES | CACTVS | 3.385 | Fc1cc2C(=O)N(CC(=O)C[CH]3CCCCN3)C=Nc2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)CC3CCCCN3 |
