種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(Nc1nnc(c1c2ccc(cc2)O)c3ccc(cc3)O)c4ccc(cc4)O |
InChI | InChI | 1.03 | InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25) |
InChIKey | InChI | 1.03 | YRRFETZFOOWFGO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CNc2[nH]nc(c3ccc(O)cc3)c2c4ccc(O)cc4)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(CNc2[nH]nc(c3ccc(O)cc3)c2c4ccc(O)cc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O |