Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1cc(c(F)cc1F)C4CCC(N3Cc2nnc(n2CC3)C(F)(F)F)CC4N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1C[C@H](CC[C@@H]1c2cc(F)c(F)cc2F)N3CCn4c(C3)nnc4C(F)(F)F |
SMILES | CACTVS | 3.341 | N[CH]1C[CH](CC[CH]1c2cc(F)c(F)cc2F)N3CCn4c(C3)nnc4C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(cc(c1F)F)F)C2CCC(CC2N)N3CCn4c(nnc4C(F)(F)F)C3 |
InChI | InChI | 1.03 | InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1 |
InChIKey | InChI | 1.03 | CNKRZILQBKJWDS-WMFXKJRFSA-N |