Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CC(CN3C)OCC |
InChI | InChI | 1.03 | InChI=1S/C23H31F2N3O/c1-4-29-20-13-19(28(3)14-20)8-5-16-11-17(23(25)21(24)12-16)6-7-18-9-15(2)10-22(26)27-18/h9-12,19-20H,4-8,13-14H2,1-3H3,(H2,26,27)/t19-,20+/m0/s1 |
InChIKey | InChI | 1.03 | JJRCJHDDDMVMGM-VQTJNVASSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCO[C@@H]1C[C@H](CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2)N(C)C1 |
SMILES | CACTVS | 3.385 | CCO[CH]1C[CH](CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2)N(C)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC1CC(N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C |