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

Systemtic Name: (4E)-4-[(5-bromanyl-2-propoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(5-bromo-2-propoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(5-bromo-2-propoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(5-bromo-2-propoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(5-bromo-2-propoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19BrN2O2/c1-3-11-25-19-10-9-16(21)12-15(19)13-18-14(2)22-23(20(18)24)17-7-5-4-6-8-17/h4-10,12-13H,3,11H2,1-2H3/b18-13+