| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C5(c3nnc2c(cccn23)C4CC4)CC5 |
| InChI | InChI | 1.03 | InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 |
| InChIKey | InChI | 1.03 | DSIKPABWAOKGSR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(cc1)C2(CC2)c3nnc4n3cccc4C5CC5 |
| SMILES | CACTVS | 3.370 | Clc1ccc(cc1)C2(CC2)c3nnc4n3cccc4C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5 |
