| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23) |
| InChIKey | InChI | 1.06 | YQVUADHJKWJHAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C(=O)C=C3 |
| SMILES | CACTVS | 3.385 | Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C(=O)C=C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N |
