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

Systemtic Name: (4E)-4-[[2-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[2-[2-(4-hexylphenoxy)ethoxy]phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[2-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[2-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[2-[2-(4-hexylphenoxy)ethoxy]benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC=C2/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C31H34N2O3/c1-3-4-5-7-12-25-17-19-28(20-18-25)35-21-22-36-30-16-11-10-13-26(30)23-29-24(2)32-33(31(29)34)27-14-8-6-9-15-27/h6,8-11,13-20,23H,3-5,7,12,21-22H2,1-2H3/b29-23+