| PDB CCD ID: | SNF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H16 N4 Ni |
| InChI: | 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: | YWFIBUKMYHZULK-UBTITEMDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | [Ni]|1|2|3|N(=Cc4ccccn|14)C[C@@H](C)N|2=Cc5ccccn|35 | | 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 | | CACTVS 3.385 | [Ni]|1|2|3|N(=Cc4ccccn|14)C[CH](C)N|2=Cc5ccccn|35 | | OpenEye OEToolkits 1.7.6 | CC1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3 | | ACDLabs 12.01 | c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5 |
|
| Name: | (N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt |
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