Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(nc(N)c1)CCc1cc(CCN2CCN(C)CC2)cc(F)c1F |
InChI | InChI | 1.06 | InChI=1S/C21H28F2N4/c1-15-11-18(25-20(24)12-15)4-3-17-13-16(14-19(22)21(17)23)5-6-27-9-7-26(2)8-10-27/h11-14H,3-10H2,1-2H3,(H2,24,25) |
InChIKey | InChI | 1.06 | DKLAHKWNKRMLJW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C |