| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [N@H]=C(N)c4ccc3cc(C#Cc1ccc2c(c1)CCNC2)ccc3c4 |
| InChI | InChI | 1.03 | InChI=1S/C22H19N3/c23-22(24)20-8-7-17-11-15(3-5-18(17)13-20)1-2-16-4-6-21-14-25-10-9-19(21)12-16/h3-8,11-13,25H,9-10,14H2,(H3,23,24) |
| InChIKey | InChI | 1.03 | ACKRFKIRNILEQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc2cc(ccc2c1)C#Cc3ccc4CNCCc4c3 |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc2cc(ccc2c1)C#Cc3ccc4CNCCc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2cc(ccc2cc1C#Cc3ccc4c(c3)CCNC4)C(=N)N |
