(4E)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C32H32N4O2 MolecularWeight: 504.62208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C32H32N4O2/c1-3-4-5-12-21-38-29-19-17-25(18-20-29)31-26(23-35(34-31)27-13-8-6-9-14-27)22-30-24(2)33-36(32(30)37)28-15-10-7-11-16-28/h6-11,13-20,22-23H,3-5,12,21H2,1-2H3/b30-22+