種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c(C)c(cc2c1cn(c2)c4cc(C(=O)NN=[C@H]c3occc3)ccc4)C |
InChI | InChI | 1.03 | InChI=1S/C22H19N3O2/c1-15-9-18-13-25(14-19(18)10-16(15)2)20-6-3-5-17(11-20)22(26)24-23-12-21-7-4-8-27-21/h3-14H,1-2H3,(H,24,26)/b23-12+ |
InChIKey | InChI | 1.03 | JOUFONRDAYRIBB-FSJBWODESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4occc4 |
SMILES | CACTVS | 3.385 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4occc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4ccco4 |