種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C22H24N4/c1-15-16(2)26-17(3)18(11-13-22(26)23-15)10-12-21-24-20(14-25(21)4)19-8-6-5-7-9-19/h5-9,11,13-14H,10,12H2,1-4H3 |
InChIKey | InChI | 1.03 | RVLJIWHZBHOJLA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4)C)C |