Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1 |
InChIKey | InChI | 1.06 | JBRIYRDJXQTWRH-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[C@H]2C1)c4c(O)cccc4Cl |
SMILES | CACTVS | 3.385 | CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CCN2Cc3cc(c(c(c3OC[C@H]2C1)F)c4c(cccc4Cl)O)C#CC |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CCN2Cc3cc(c(c(c3OCC2C1)F)c4c(cccc4Cl)O)C#CC |