(4E)-2-(3-bromophenyl)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(3-bromophenyl)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3-bromophenyl)-4-[(4-isobutoxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-bromophenyl)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3-bromophenyl)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-bromophenyl)-4-(4-isobutoxy-3-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC(C)C)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC(C)C)OC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H23BrN2O3/c1-14(2)13-28-20-9-8-16(11-21(20)27-4)10-19-15(3)24-25(22(19)26)18-7-5-6-17(23)12-18/h5-12,14H,13H2,1-4H3/b19-10+