Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H16F3N5O2/c1-28-11-16-17(19(30)27-28)18(13-7-5-12(10-25)6-8-13)26-20(31)29(16)15-4-2-3-14(9-15)21(22,23)24/h2-9,18H,11H2,1H3,(H,26,31)(H,27,30)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | UPNMBPLODWPJQQ-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 |
SMILES | CACTVS | 3.385 | CN1CC2=C([CH](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1CC2=C(C(NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1 |