iron; 2-methyl-3-oxidanyl-1-phenethyl-pyridin-4-one

Systemtic Name: iron; 2-methyl-3-oxidanyl-1-phenethyl-pyridin-4-one Openeye Name: 3-hydroxy-2-methyl-1-phenethyl-pyridin-4-one; iron CAS Name: 3-hydroxy-2-methyl-1-phenethyl-4-pyridinone; iron IUPAC Name: 3-hydroxy-2-methyl-1-phenethylpyridin-4-one; iron Traditional Name: 3-hydroxy-2-methyl-1-phenethyl-4-pyridone; iron Formula: C42H45FeN3O6 MolecularWeight: 743.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)O.CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)O.CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)O.[Fe]

Isomeric SMILES

CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)O.CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)O.CC1=C(C(=O)C=CN1CCC2=CC=CC=C2)O.[Fe]

InChI

InChI=1S/3C14H15NO2.Fe/c3*1-11-14(17)13(16)8-10-15(11)9-7-12-5-3-2-4-6-12;/h3*2-6,8,10,17H,7,9H2,1H3;