Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c1c(cccc1)CN(c2ccc(C#N)c(Cl)c2)C3CCN(C)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(C#N)c(Cl)c3 |
SMILES | CACTVS | 3.341 | CN1CC[CH](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(C#N)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCC(C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N |
InChI | InChI | 1.03 | InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | HMOAZJHSXXENHE-KRWDZBQOSA-N |