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

Systemtic Name: (4E)-2-(4-chlorophenyl)-4-[(3-methoxy-4-propoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-chlorophenyl)-4-[(3-methoxy-4-propoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-chlorophenyl)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-chlorophenyl)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-chlorophenyl)-4-(3-methoxy-4-propoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)OC

InChI

InChI=1S/C21H21ClN2O3/c1-4-11-27-19-10-5-15(13-20(19)26-3)12-18-14(2)23-24(21(18)25)17-8-6-16(22)7-9-17/h5-10,12-13H,4,11H2,1-3H3/b18-12+