| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc4ccc(C#Cc1c3c(nn1)c2cc(OC)c(OC)cc2C3)cc4OC |
| InChI | InChI | 1.03 | InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23) |
| InChIKey | InChI | 1.03 | MPWLZTAOZDBWMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(ccc1O)C#Cc2[nH]nc3c2Cc4cc(OC)c(OC)cc34 |
| SMILES | CACTVS | 3.370 | COc1cc(ccc1O)C#Cc2[nH]nc3c2Cc4cc(OC)c(OC)cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC |
