Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C26H20N4O5/c31-22-12-17(10-11-24(22)34-20-7-2-1-3-8-20)15-30-16-19(28-29-30)14-27-25(32)21-13-18-6-4-5-9-23(18)35-26(21)33/h1-13,16,31H,14-15H2,(H,27,32) |
InChIKey | InChI | 1.06 | VYCONRDQVKDCGH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(CNC(=O)C3=Cc4ccccc4OC3=O)nn2)ccc1Oc5ccccc5 |
SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(CNC(=O)C3=Cc4ccccc4OC3=O)nn2)ccc1Oc5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2O)Cn3cc(nn3)CNC(=O)C4=Cc5ccccc5OC4=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc(cc2O)Cn3cc(nn3)CNC(=O)C4=Cc5ccccc5OC4=O |