(4E)-2-(4-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-5-phenyl-4-veratrylidene-2-pyrazolin-3-one Formula: C24H19BrN2O3 MolecularWeight: 463.32326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H19BrN2O3/c1-29-21-13-8-16(15-22(21)30-2)14-20-23(17-6-4-3-5-7-17)26-27(24(20)28)19-11-9-18(25)10-12-19/h3-15H,1-2H3/b20-14+