種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)Oc1cccc(c1)n3nnc2ccc(nc23)NCC4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24) |
InChIKey | InChI | 1.03 | OZAALIWIRMBCOR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)n2nnc3ccc(NCC4CCNCC4)nc23 |
SMILES | CACTVS | 3.385 | FC(F)(F)Oc1cccc(c1)n2nnc3ccc(NCC4CCNCC4)nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2 |