| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(C(Cc2cccc(C1CCCN1C(=O)[C@H]=C)c2)=O)c3cccc(c3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C21H21ClN2O2/c1-2-21(26)24-11-5-10-19(24)16-7-3-6-15(12-16)13-20(25)23-18-9-4-8-17(22)14-18/h2-4,6-9,12,14,19H,1,5,10-11,13H2,(H,23,25)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | HVSHMSOMUBRQOZ-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(NC(=O)Cc2cccc(c2)[C@H]3CCCN3C(=O)C=C)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(NC(=O)Cc2cccc(c2)[CH]3CCCN3C(=O)C=C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | C=CC(=O)N1CCCC1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl |
