[4-[4-butyl-3-oxidanylidene-2-phenyl-5-(phenylcarbonyloxy)pyrazol-1-yl]phenyl] benzoate

Systemtic Name: [4-[4-butyl-3-oxidanylidene-2-phenyl-5-(phenylcarbonyloxy)pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-(5-benzoyloxy-4-butyl-3-oxo-2-phenyl-pyrazol-1-yl)phenyl] benzoate CAS Name: benzoic acid [4-(5-benzoyloxy-4-butyl-3-oxo-2-phenyl-1-pyrazolyl)phenyl] ester IUPAC Name: [4-(5-benzoyloxy-4-butyl-3-oxo-2-phenylpyrazol-1-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(5-benzoyloxy-4-butyl-3-keto-2-phenyl-3-pyrazolin-1-yl)phenyl] ester Formula: C33H28N2O5 MolecularWeight: 532.58582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H28N2O5/c1-2-3-19-29-30(36)34(26-17-11-6-12-18-26)35(31(29)40-33(38)25-15-9-5-10-16-25)27-20-22-28(23-21-27)39-32(37)24-13-7-4-8-14-24/h4-18,20-23H,2-3,19H2,1H3