(4Z)-4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-2,5-diphenyl-2-pyrazolin-3-one Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrN2O3/c1-3-14-32-25-22(27)16-18(17-23(25)31-2)15-21-24(19-10-6-4-7-11-19)28-29(26(21)30)20-12-8-5-9-13-20/h3-13,15-17H,1,14H2,2H3/b21-15-