Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H20N4O4/c1-27(2)23(30)15-4-13(8-24-9-15)14-5-18-19(11-26-22(18)25-10-14)17-6-16(12-28)20(29)7-21(17)31-3/h4-12,29H,1-3H3,(H,25,26) |
InChIKey | InChI | 1.03 | JYBKYHQDAOGLCV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C |
SMILES | CACTVS | 3.385 | COc1cc(O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4cc(c(cc4OC)O)C=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4cc(c(cc4OC)O)C=O |