Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)C)F |
InChI | InChI | 1.03 | InChI=1S/C21H27F2N3O/c1-14-9-17(25-20(24)10-14)5-4-16-11-15(12-19(22)21(16)23)3-6-18-13-27-8-7-26(18)2/h9-12,18H,3-8,13H2,1-2H3,(H2,24,25)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | WLROZYRNCCIRPN-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCOC[C@@H]1CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2 |
SMILES | CACTVS | 3.385 | CN1CCOC[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]3COCCN3C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3COCCN3C |