(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) benzoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) benzoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) benzoate CAS Name: benzoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) benzoate Traditional Name: benzoic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3/c1-2-3-19-23-24(29)27(21-15-9-5-10-16-21)28(22-17-11-6-12-18-22)25(23)31-26(30)20-13-7-4-8-14-20/h4-18H,2-3,19H2,1H3