4-[(2-ethoxy-5-iodanyl-phenyl)-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(2-ethoxy-5-iodanyl-phenyl)-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(2-ethoxy-5-iodo-phenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one CAS Name: 4-[(2-ethoxy-5-iodophenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(2-ethoxy-5-iodophenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(2-ethoxy-5-iodo-phenyl)-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)methyl]-2-methyl-5-phenyl-3-pyrazolin-3-one Formula: C29H27IN4O3 MolecularWeight: 606.45415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)I)C(C2=C(NN(C2=O)C)C3=CC=CC=C3)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C(C=C1)I)C(C2=C(NN(C2=O)C)C3=CC=CC=C3)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C29H27IN4O3/c1-4-37-22-16-15-20(30)17-21(22)23(24-26(31-33(2)28(24)35)18-11-7-5-8-12-18)25-27(32-34(3)29(25)36)19-13-9-6-10-14-19/h5-17,23,31-32H,4H2,1-3H3