(4E)-4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(4-benzoxy-3-bromo-5-ethoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C26H23BrN2O3 MolecularWeight: 491.37642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O3/c1-3-31-24-16-20(15-23(27)25(24)32-17-19-10-6-4-7-11-19)14-22-18(2)28-29(26(22)30)21-12-8-5-9-13-21/h4-16H,3,17H2,1-2H3/b22-14+