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

Systemtic Name: (4E)-5-methyl-4-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O2/c1-22(2)18-19-37-28-16-14-24(15-17-28)30-25(21-34(33-30)26-10-6-4-7-11-26)20-29-23(3)32-35(31(29)36)27-12-8-5-9-13-27/h4-17,20-22H,18-19H2,1-3H3/b29-20+