Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4=CN(Cc2c1ccccc1cc3ccccc23)C(N4C)[Ru](Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H17N2.2ClH.Ru/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19;;;/h2-12,14H,13H2,1H3;2*1H;/q;;;+2/p-2 |
InChIKey | InChI | 1.03 | KISMSSNGIFBOOC-UHFFFAOYSA-L |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CN(Cc2c3ccccc3cc4ccccc24)C=C1.Cl[Ru]Cl |
SMILES | CACTVS | 3.385 | CN1CN(Cc2c3ccccc3cc4ccccc24)C=C1.Cl[Ru]Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4 |