種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1cc(CCc2cc(CCN(CC)CC)cc(F)c2F)nc(N)c1 |
InChI | InChI | 1.06 | InChI=1S/C20H27F2N3/c1-4-25(5-2)9-8-15-12-16(20(22)18(21)13-15)6-7-17-10-14(3)11-19(23)24-17/h10-13H,4-9H2,1-3H3,(H2,23,24) |
InChIKey | InChI | 1.06 | VTBBOQXEUODKIN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |
SMILES | CACTVS | 3.385 | CCN(CC)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C |