copper; 6-(6-pyridin-2-ylpyridin-2-yl)-N-[[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-3-yl]methyl]pyridine-3-carboxamide; dihydrate

Systemtic Name: copper; 6-(6-pyridin-2-ylpyridin-2-yl)-N-[[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-3-yl]methyl]pyridine-3-carboxamide; dihydrate Openeye Name: copper; 6-[6-(2-pyridyl)-2-pyridyl]-N-[[6-[6-(2-pyridyl)-2-pyridyl]-3-pyridyl]methyl]pyridine-3-carboxamide; dihydrate CAS Name: copper; 6-[6-(2-pyridinyl)-2-pyridinyl]-N-[[6-[6-(2-pyridinyl)-2-pyridinyl]-3-pyridinyl]methyl]-3-pyridinecarboxamide; dihydrate IUPAC Name: copper; 6-(6-pyridin-2-ylpyridin-2-yl)-N-[[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-3-yl]methyl]pyridine-3-carboxamide; dihydrate Traditional Name: copper; 6-[6-(2-pyridyl)-2-pyridyl]-N-[[6-[6-(2-pyridyl)-2-pyridyl]-3-pyridyl]methyl]nicotinamide; dihydrate Formula: C32H27Cu2N7O3 MolecularWeight: 684.69388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NC=C(C=C3)CNC(=O)C4=CN=C(C=C4)C5=CC=CC(=N5)C6=CC=CC=N6.O.O.[Cu].[Cu]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NC=C(C=C3)CNC(=O)C4=CN=C(C=C4)C5=CC=CC(=N5)C6=CC=CC=N6.O.O.[Cu].[Cu]

InChI

InChI=1S/C32H23N7O.2Cu.2H2O/c40-32(23-14-16-27(36-21-23)31-12-6-10-29(39-31)25-8-2-4-18-34-25)37-20-22-13-15-26(35-19-22)30-11-5-9-28(38-30)24-7-1-3-17-33-24;;;;/h1-19,21H,20H2,(H,37,40);;;2*1H2