ethanenitrile; iron(3+); 3-(C-phenylcarbonimidoyl)-N2,N4-bis(pyridin-2-ylmethyl)pentane-2,4-diimine

Systemtic Name: ethanenitrile; iron(3+); 3-(C-phenylcarbonimidoyl)-N2,N4-bis(pyridin-2-ylmethyl)pentane-2,4-diimine Openeye Name: ferric; acetonitrile; 3-(benzenecarboximidoyl)-N2,N4-bis(2-pyridylmethyl)pentane-2,4-diimine CAS Name: acetonitrile; 3-[imino(phenyl)methyl]-N2,N4-bis(2-pyridinylmethyl)pentane-2,4-diimine; iron(3+) IUPAC Name: acetonitrile; 3-(benzenecarboximidoyl)-2-N,4-N-bis(pyridin-2-ylmethyl)pentane-2,4-diimine; iron(3+) Traditional Name: ferric; acetonitrile; [2-benzimidoyl-1-methyl-3-(2-pyridylmethylimino)butylidene]-(2-pyridylmethyl)amine Formula: C26H28FeN6+3 MolecularWeight: 480.38572

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC(=NCC1=CC=CC=N1)C(C(=NCC2=CC=CC=N2)C)C(=N)C3=CC=CC=C3.[Fe+3]

Isomeric SMILES

CC#N.CC(=NCC1=CC=CC=N1)C(C(=NCC2=CC=CC=N2)C)C(=N)C3=CC=CC=C3.[Fe+3]

InChI

InChI=1S/C24H25N5.C2H3N.Fe/c1-18(28-16-21-12-6-8-14-26-21)23(24(25)20-10-4-3-5-11-20)19(2)29-17-22-13-7-9-15-27-22;1-2-3;/h3-15,23,25H,16-17H2,1-2H3;1H3;/q;;+3