Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(c(cc3cc(C(c1cnnn1)(C(C)C)O)ccc23)OC(F)F)OC(F)F |
InChI | InChI | 1.03 | InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | ZBRAJOQFSNYJMF-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c3c[nH]nn3 |
SMILES | CACTVS | 3.385 | CC(C)[C](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c3c[nH]nn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O |
SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)C(c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O |