(4Z)-4-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(3-bromo-4-butoxy-5-methoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-(3-bromo-4-butoxy-5-methoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C22H23BrN2O3/c1-4-5-11-28-21-19(23)13-16(14-20(21)27-3)12-18-15(2)24-25(22(18)26)17-9-7-6-8-10-17/h6-10,12-14H,4-5,11H2,1-3H3/b18-12-