(4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrazol-1-ylphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrazol-1-ylphenyl)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrazol-1-ylphenyl)methylene]pyrazol-3-one CAS Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[[4-(1-pyrazolyl)phenyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-[(4-pyrazol-1-ylphenyl)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-(3,4-dimethoxyphenyl)-2-phenyl-4-(4-pyrazol-1-ylbenzylidene)-2-pyrazolin-3-one Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C\2=NN(C(=O)/C2=C\C3=CC=C(C=C3)N4C=CC=N4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H22N4O3/c1-33-24-14-11-20(18-25(24)34-2)26-23(27(32)31(29-26)22-7-4-3-5-8-22)17-19-9-12-21(13-10-19)30-16-6-15-28-30/h3-18H,1-2H3/b23-17-