Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H21F3N4O2/c1-12-5-4-6-14(9-12)27(3)20(30)18-17(29)7-8-28(18)19-15(11-25)16(21(22,23)24)10-13(2)26-19/h4-6,9-10,17-18,29H,7-8H2,1-3H3/t17-,18+/m1/s1 |
InChIKey | InChI | 1.06 | YHMDHAMZFMNMTF-MSOLQXFVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@@H]1[C@H](O)CCN1c2nc(C)cc(c2C#N)C(F)(F)F)c3cccc(C)c3 |
SMILES | CACTVS | 3.385 | CN(C(=O)[CH]1[CH](O)CCN1c2nc(C)cc(c2C#N)C(F)(F)F)c3cccc(C)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)N(C)C(=O)[C@@H]2[C@@H](CCN2c3c(c(cc(n3)C)C(F)(F)F)C#N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)N(C)C(=O)C2C(CCN2c3c(c(cc(n3)C)C(F)(F)F)C#N)O |