| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCc1ccccc1)Nc2cc3c(cc2)nnc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21) |
| InChIKey | InChI | 1.03 | XEZOXLSEWZHMQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(NCCc1ccccc1)Nc2ccc3[nH]ncc3c2 |
| SMILES | CACTVS | 3.370 | O=C(NCCc1ccccc1)Nc2ccc3[nH]ncc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3 |
