| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H23N3O4/c1-14(2)32-21-5-4-15(8-22(21)29-3)17-10-20-18-11-24-23(30-13-31-24)9-16(18)6-7-28(20)25(27)19(17)12-26/h4-5,8-11,14,27H,6-7,13H2,1-3H3/b27-25- |
| InChIKey | InChI | 1.03 | LVLOUZWLCDLTGX-RFBIWTDZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc5OCOc5cc4C3=C2 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc5OCOc5cc4C3=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1ccc(cc1OC)C2=C(C(=N)N3CCc4cc5c(cc4C3=C2)OCO5)C#N |
