Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c2F)F)F |
InChI | InChI | 1.03 | InChI=1S/C19H24F3N3/c1-12-9-14(24-17(23)10-12)6-7-15-18(21)13(5-4-8-25(2)3)11-16(20)19(15)22/h9-11H,4-8H2,1-3H3,(H2,23,24) |
InChIKey | InChI | 1.03 | ZAJCMGYRPZNQGR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F |
SMILES | CACTVS | 3.385 | CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F |