Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3ccc4nc(c2ccc(Oc1cccc(O)c1)cc2)nc4c3)N |
InChI | InChI | 1.03 | InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23) |
InChIKey | InChI | 1.03 | PMCFOCQQFLSWEU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4cccc(O)c4)cc3 |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc2nc([nH]c2c1)c3ccc(Oc4cccc(O)c4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O |