bis(chloranyl)iron; 6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

Systemtic Name: bis(chloranyl)iron; 6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile Openeye Name: 6-[[bis(2-pyridylmethyl)amino]methyl]pyridine-2-carbonitrile; dichloroiron CAS Name: 6-[[bis(2-pyridinylmethyl)amino]methyl]-2-pyridinecarbonitrile; dichloroiron IUPAC Name: 6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile; dichloroiron Traditional Name: 6-[[bis(2-pyridylmethyl)amino]methyl]picolinonitrile; dichloroiron Formula: C19H17Cl2FeN5 MolecularWeight: 442.12278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC(=N3)C#N.Cl[Fe]Cl

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC(=N3)C#N.Cl[Fe]Cl

InChI

InChI=1S/C19H17N5.2ClH.Fe/c20-12-16-8-5-9-19(23-16)15-24(13-17-6-1-3-10-21-17)14-18-7-2-4-11-22-18;;;/h1-11H,13-15H2;2*1H;/q;;;+2/p-2