| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(N=C(N)N1C)C3CC3c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O/c1-17-13(18)8-12(16-14(17)15)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H2,15,16)/t10-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | VTVXXFGROBMFAL-QWRGUYRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=NC(=CC1=O)[C@H]2C[C@H]2c3ccccc3)N |
| SMILES | CACTVS | 3.370 | CN1C(=NC(=CC1=O)[CH]2C[CH]2c3ccccc3)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C=C(N=C1N)C2CC2c3ccccc3 |
