種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O(C)c1ccc(cc1)c4c(c3cc(c2cccc(c2)N)ccc3)c(nn4)N |
InChI | InChI | 1.03 | InChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26) |
InChIKey | InChI | 1.03 | NUTSYDYCFJFYDE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2n[nH]c(N)c2c3cccc(c3)c4cccc(N)c4 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2n[nH]c(N)c2c3cccc(c3)c4cccc(N)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N |