Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)C(=O)NCC1(F)CCN(CC1)CC1CC(C)(C)OCC1 |
InChI | InChI | 1.06 | InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1 |
InChIKey | InChI | 1.06 | DKNDOKIVCXTFHJ-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@H](CCO1)CN2CCC(F)(CC2)CNC(=O)c3cc(Cl)cc(Cl)c3 |
SMILES | CACTVS | 3.385 | CC1(C)C[CH](CCO1)CN2CCC(F)(CC2)CNC(=O)c3cc(Cl)cc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C[C@H](CCO1)CN2CCC(CC2)(CNC(=O)c3cc(cc(c3)Cl)Cl)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(CCO1)CN2CCC(CC2)(CNC(=O)c3cc(cc(c3)Cl)Cl)F)C |