4-[(3-oxidanylidene-2,5-diphenyl-1H-pyrazol-4-yl)-(4-pentoxyphenyl)methyl]-2,5-diphenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-oxidanylidene-2,5-diphenyl-1H-pyrazol-4-yl)-(4-pentoxyphenyl)methyl]-2,5-diphenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)-(4-pentoxyphenyl)methyl]-2,5-diphenyl-1H-pyrazol-3-one CAS Name: 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)-(4-pentoxyphenyl)methyl]-2,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)-(4-pentoxyphenyl)methyl]-2,5-diphenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-amoxyphenyl)-(5-keto-1,3-diphenyl-3-pyrazolin-4-yl)methyl]-2,5-diphenyl-3-pyrazolin-3-one Formula: C42H38N4O3 MolecularWeight: 646.77612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C42H38N4O3/c1-2-3-16-29-49-35-27-25-30(26-28-35)36(37-39(31-17-8-4-9-18-31)43-45(41(37)47)33-21-12-6-13-22-33)38-40(32-19-10-5-11-20-32)44-46(42(38)48)34-23-14-7-15-24-34/h4-15,17-28,36,43-44H,2-3,16,29H2,1H3