Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H21F3N4O2/c1-10(12-5-13(20(21,22)23)7-14(24)6-12)25-19-15-8-17(28-3)18(29-4)9-16(15)26-11(2)27-19/h5-10H,24H2,1-4H3,(H,25,26,27)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | UCSYKUAZQWUWGJ-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cc(c3)N)C(F)(F)F)OC)OC |