Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)n1 |
InChI | InChI | 1.06 | InChI=1S/C17H22F2N4/c1-11-8-14(22-17(20)21-11)5-4-13-9-12(6-7-23(2)3)10-15(18)16(13)19/h8-10H,4-7H2,1-3H3,(H2,20,21,22) |
InChIKey | InChI | 1.06 | VWQYXRPMXXUGAZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1cc(F)c(F)c(CCc2cc(C)nc(N)n2)c1 |
SMILES | CACTVS | 3.385 | CN(C)CCc1cc(F)c(F)c(CCc2cc(C)nc(N)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)N)CCc2cc(cc(c2F)F)CCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)N)CCc2cc(cc(c2F)F)CCN(C)C |