1,1-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; ethanenitrile; iron(2+); diperchlorate

Systemtic Name: 1,1-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; ethanenitrile; iron(2+); diperchlorate Openeye Name: ferrous; acetonitrile; 1,1-bis(2-pyridyl)-N,N-bis(2-pyridylmethyl)methanamine; diperchlorate CAS Name: acetonitrile; 1,1-bis(2-pyridinyl)-N,N-bis(2-pyridinylmethyl)methanamine; iron(2+); diperchlorate IUPAC Name: acetonitrile; 1,1-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; iron(2+); diperchlorate Traditional Name: ferrous; acetonitrile; bis(2-pyridyl)methyl-bis(2-pyridylmethyl)amine; diperchlorate Formula: C27H27Cl2FeN7O8 MolecularWeight: 704.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(C3=CC=CC=N3)C4=CC=CC=N4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

Isomeric SMILES

CC#N.CC#N.C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(C3=CC=CC=N3)C4=CC=CC=N4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]

InChI

InChI=1S/C23H21N5.2C2H3N.2ClHO4.Fe/c1-5-13-24-19(9-1)17-28(18-20-10-2-6-14-25-20)23(21-11-3-7-15-26-21)22-12-4-8-16-27-22;2*1-2-3;2*2-1(3,4)5;/h1-16,23H,17-18H2;2*1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2