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

Systemtic Name: (4E)-4-[[3-bromanyl-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H27BrN2O4 MolecularWeight: 535.42898

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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)OCCOC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCCOC4=CC=C(C=C4)C

InChI

InChI=1S/C28H27BrN2O4/c1-4-33-26-18-21(16-24-20(3)30-31(28(24)32)22-8-6-5-7-9-22)17-25(29)27(26)35-15-14-34-23-12-10-19(2)11-13-23/h5-13,16-18H,4,14-15H2,1-3H3/b24-16+