Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m1/s1 |
InChIKey | InChI | 1.03 | WMVNTKWNIVSPIC-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3 |
SMILES | CACTVS | 3.385 | C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 |