| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC2CC2c1ccccc1)c3ccc(C#N)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(N[C@H]1C[C@@H]1c2ccccc2)c3ccc(cc3)C#N |
| SMILES | CACTVS | 3.370 | O=C(N[CH]1C[CH]1c2ccccc2)c3ccc(cc3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2CC2NC(=O)c3ccc(cc3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | RPFFDFASGIBGIP-CVEARBPZSA-N |
