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

Systemtic Name: (4E)-3-methyl-4-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-1H-pyrazol-5-one Openeye Name: (4E)-4-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-1H-pyrazol-5-one CAS Name: (4E)-3-methyl-4-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-1H-pyrazol-5-one IUPAC Name: (4E)-3-methyl-4-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-1H-pyrazol-5-one Traditional Name: (4E)-4-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-pyrazolin-3-one Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1=CC2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC\1=NNC(=O)/C1=C/C2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2/c1-16(2)15-30-21-11-9-18(10-12-21)23-19(13-22-17(3)25-26-24(22)29)14-28(27-23)20-7-5-4-6-8-20/h4-14,16H,15H2,1-3H3,(H,26,29)/b22-13+