Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(cc1)c2nc(nc(c2)N3CCC(CC3)C)N |
InChI | InChI | 1.03 | InChI=1S/C17H19F3N4/c1-11-6-8-24(9-7-11)15-10-14(22-16(21)23-15)12-2-4-13(5-3-12)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H2,21,22,23) |
InChIKey | InChI | 1.03 | YZEUYKXNCFTYAI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1CCN(CC1)c2cc(nc(N)n2)c3ccc(cc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC1CCN(CC1)c2cc(nc(N)n2)c3ccc(cc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F |