Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H17F3N4O3/c1-7-10(23)6-22(7)14-8(3-19)9(15(16,17)18)2-13(20-14)21-4-11(24)12(25)5-21/h2,7,10-12,23-25H,4-6H2,1H3/t7-,10+,11-,12+/m0/s1 |
InChIKey | InChI | 1.03 | HARCSJOAFSSBOB-FPQWWODTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@H](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[C@H](O)[C@H](O)C3 |
SMILES | CACTVS | 3.385 | C[CH]1[CH](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[CH](O)[CH](O)C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CN1c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O |