ethanoic acid; (4Z)-5-methyl-4-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: ethanoic acid; (4Z)-5-methyl-4-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: acetic acid; (4Z)-5-methyl-4-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-phenyl-pyrazol-3-one CAS Name: acetic acid; (4Z)-5-methyl-4-[[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: acetic acid; (4Z)-5-methyl-4-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: acetic acid; (4Z)-5-methyl-4-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-phenyl-2-pyrazolin-3-one Formula: C32H32N4O4 MolecularWeight: 536.62088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)C.CC(=O)O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)C.CC(=O)O

InChI

InChI=1S/C30H28N4O2.C2H4O2/c1-4-17-36-26-15-16-27(21(2)18-26)29-23(20-33(32-29)24-11-7-5-8-12-24)19-28-22(3)31-34(30(28)35)25-13-9-6-10-14-25;1-2(3)4/h5-16,18-20H,4,17H2,1-3H3;1H3,(H,3,4)/b28-19-;