Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C#N |
InChI | InChI | 1.03 | InChI=1S/C16H18F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-2,5-6,11-12,14,21H,3-4,7-9H2/t11-,12+,14-/m1/s1 |
InChIKey | InChI | 1.03 | BAWNDWQWOFOQKR-MBNYWOFBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccccc1N[C@@H]2CCC[C@@H]3CN(C[C@H]23)C#N |
SMILES | CACTVS | 3.385 | FC(F)(F)c1ccccc1N[CH]2CCC[CH]3CN(C[CH]23)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(F)(F)F)N[C@@H]2CCC[C@H]3[C@@H]2CN(C3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(F)(F)F)NC2CCCC3C2CN(C3)C#N |