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

Systemtic Name: 4-[(4-hexoxyphenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(4-hexoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(4-hexoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-hexoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-hexoxyphenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C33H36N4O3 MolecularWeight: 536.66394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C33H36N4O3/c1-4-5-6-13-22-40-28-20-18-25(19-21-28)31(29-23(2)34-36(32(29)38)26-14-9-7-10-15-26)30-24(3)35-37(33(30)39)27-16-11-8-12-17-27/h7-12,14-21,31,34-35H,4-6,13,22H2,1-3H3