| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5 |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4.Ni/c1-13(19-12-15-7-3-5-9-18-15)10-16-11-14-6-2-4-8-17-14;/h2-9,11-13H,10H2,1H3;/b16-11+,19-12+;/t13-;/m1./s1 |
| InChIKey | InChI | 1.03 | YWFIBUKMYHZULK-UBTITEMDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni]|1|2|3|N(=Cc4ccccn|14)C[C@@H](C)N|2=Cc5ccccn|35 |
| SMILES | CACTVS | 3.385 | [Ni]|1|2|3|N(=Cc4ccccn|14)C[CH](C)N|2=Cc5ccccn|35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3 |
