(4E)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-2-(3-chloranyl-2-methyl-phenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-2-(3-chloranyl-2-methyl-phenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-butoxy-3-methoxy-phenyl)methylene]-2-(3-chloro-2-methyl-phenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(3-chloro-2-methylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-butoxy-3-methoxy-benzylidene)-2-(3-chloro-2-methyl-phenyl)-5-methyl-2-pyrazolin-3-one Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=C(C(=CC=C3)Cl)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=C(C(=CC=C3)Cl)C)C)OC

InChI

InChI=1S/C23H25ClN2O3/c1-5-6-12-29-21-11-10-17(14-22(21)28-4)13-18-16(3)25-26(23(18)27)20-9-7-8-19(24)15(20)2/h7-11,13-14H,5-6,12H2,1-4H3/b18-13+