| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3/t18-,25?/m1/s1 |
| InChIKey | InChI | 1.03 | YBMGNDPBARCLFT-YDONVPIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H]2C(=C(N)OC3=C2C(=O)C[C@H](C3)c4cccc5ccccc45)C#N |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH]2C(=C(N)OC3=C2C(=O)C[CH](C3)c4cccc5ccccc45)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1)C2C(=C(OC3=C2C(=O)CC(C3)c4cccc5c4cccc5)N)C#N |
