Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO |
InChI | InChI | 1.06 | InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m1/s1 |
InChIKey | InChI | 1.06 | BWADWGMLGZVJNC-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2nc(cc(N3CCN[C@@H](CO)C3)c2c1)C(F)(F)F |
SMILES | CACTVS | 3.385 | Cc1ccc2nc(cc(N3CCN[CH](CO)C3)c2c1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[C@H](C3)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNC(C3)CO |