4-[(5-bromanyl-2-butoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: 4-[(5-bromanyl-2-butoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: 4-[(5-bromo-2-butoxy-phenyl)methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: 4-[(5-bromo-2-butoxyphenyl)methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: 4-[(5-bromo-2-butoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: 4-(5-bromo-2-butoxy-benzylidene)-2,5-diphenyl-2-pyrazolin-3-one Formula: C26H23BrN2O2 MolecularWeight: 475.37702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O2/c1-2-3-16-31-24-15-14-21(27)17-20(24)18-23-25(19-10-6-4-7-11-19)28-29(26(23)30)22-12-8-5-9-13-22/h4-15,17-18H,2-3,16H2,1H3