Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1 |
InChIKey | InChI | 1.03 | WQNGMCVEBYRHCN-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2Oc3ccccc3N(CCC[C@@H]4CCCNC4)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCCC4CCCNC4 |