Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CC(=O)N1CCN(CC1CN1CCCC1)C(=O)OC |
InChI | InChI | 1.06 | InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m1/s1 |
InChIKey | InChI | 1.06 | HJUAKZYKCANOOZ-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N1CCN([C@H](CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.385 | COC(=O)N1CCN([CH](CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCN([C@@H](C1)CN2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl |