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

Systemtic Name: (4Z)-4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(2-benzyloxy-5-bromo-phenyl)methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-(2-benzoxy-5-bromo-benzylidene)-2,5-diphenyl-2-pyrazolin-3-one Formula: C29H21BrN2O2 MolecularWeight: 509.39324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H21BrN2O2/c30-24-16-17-27(34-20-21-10-4-1-5-11-21)23(18-24)19-26-28(22-12-6-2-7-13-22)31-32(29(26)33)25-14-8-3-9-15-25/h1-19H,20H2/b26-19-