Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3 |
InChIKey | InChI | 1.06 | ZRIHXCXHNUJXDW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12 |
SMILES | CACTVS | 3.385 | CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5 |