Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(CCc1cc(cc(N)n1)C)cc(CCC2CCCN2C)cc(c3F)F |
InChI | InChI | 1.03 | InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | DWIFPRVVASXUJK-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC[C@@H]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2 |
SMILES | CACTVS | 3.385 | CN1CCC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCCN3C |