種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(c3n1c(cccc1C)nc3c2c(F)cccc2F)c4c(C)cccc4C |
InChI | InChI | 1.03 | InChI=1S/C22H19F2N3/c1-13-7-4-8-14(2)20(13)26-22-21(19-16(23)10-6-11-17(19)24)25-18-12-5-9-15(3)27(18)22/h4-12,26H,1-3H3 |
InChIKey | InChI | 1.03 | RBMQZHVGMQCJOU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2nc(c(Nc3c(C)cccc3C)n12)c4c(F)cccc4F |
SMILES | CACTVS | 3.385 | Cc1cccc2nc(c(Nc3c(C)cccc3C)n12)c4c(F)cccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C |