4-[(4-butoxyphenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-butoxyphenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(4-butoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(4-butoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-butoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-butoxyphenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C31H32N4O3/c1-4-5-20-38-26-18-16-23(17-19-26)29(27-21(2)32-34(30(27)36)24-12-8-6-9-13-24)28-22(3)33-35(31(28)37)25-14-10-7-11-15-25/h6-19,29,32-33H,4-5,20H2,1-3H3