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

Systemtic Name: (4Z)-4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-(4-benzoxy-3-bromo-5-ethoxy-benzylidene)-2,5-diphenyl-2-pyrazolin-3-one Formula: C31H25BrN2O3 MolecularWeight: 553.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C31H25BrN2O3/c1-2-36-28-20-23(19-27(32)30(28)37-21-22-12-6-3-7-13-22)18-26-29(24-14-8-4-9-15-24)33-34(31(26)35)25-16-10-5-11-17-25/h3-20H,2,21H2,1H3/b26-18-