| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cccc(c1)C(=O)NCc1ccnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H15N3O/c1-11-3-2-4-12(9-11)16(20)19-10-13-5-7-17-15-14(13)6-8-18-15/h2-9H,10H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.06 | VBEFBQVNSMBDQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCc2ccnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCc2ccnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)C(=O)NCc2ccnc3c2cc[nH]3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)C(=O)NCc2ccnc3c2cc[nH]3 |
