種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(c1)CCCN(C)C)CCc2cc(cc(n2)N)C |
InChI | InChI | 1.03 | InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22) |
InChIKey | InChI | 1.03 | QAFLXFWRGFNYKW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 |
SMILES | CACTVS | 3.385 | CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C |