種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ |
InChIKey | InChI | 1.06 | IQVRBWUUXZMOPW-PKNBQFBNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)N(CC)c2nc(/C=C/c3ccc(OC)c(OC)c3)n(C)c2C1=O |
SMILES | CACTVS | 3.385 | CCN1C(=O)N(CC)c2nc(C=Cc3ccc(OC)c(OC)c3)n(C)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)/C=C/c3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC |