copper; 5-(hydroxymethyl)-2-methyl-4-[[(1-oxidanyl-1-phenyl-propan-2-yl)amino]methylidene]pyridin-3-one

Systemtic Name: copper; 5-(hydroxymethyl)-2-methyl-4-[[(1-oxidanyl-1-phenyl-propan-2-yl)amino]methylidene]pyridin-3-one Openeye Name: copper; 5-(hydroxymethyl)-4-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]methylene]-2-methyl-pyridin-3-one CAS Name: copper; 5-(hydroxymethyl)-4-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methylidene]-2-methyl-3-pyridinone IUPAC Name: copper; 5-(hydroxymethyl)-4-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methylidene]-2-methylpyridin-3-one Traditional Name: copper; 4-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C68H80Cu4N8O12 MolecularWeight: 1455.5932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.[Cu].[Cu].[Cu].[Cu]

Isomeric SMILES

CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.CC1=NC=C(C(=CNC(C)C(C2=CC=CC=C2)O)C1=O)CO.[Cu].[Cu].[Cu].[Cu]

InChI

InChI=1S/4C17H20N2O3.4Cu/c4*1-11(16(21)13-6-4-3-5-7-13)19-9-15-14(10-20)8-18-12(2)17(15)22;;;;/h4*3-9,11,16,19-21H,10H2,1-2H3;;;;