Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2 |
InChIKey | InChI | 1.03 | FAFQJYQLYIUGAT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=NC(=CN3C2=NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=NC(=CN3C2=NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O |