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

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H24N2O5/c1-2-3-14-22-25(30)28(20-10-6-4-7-11-20)29(21-12-8-5-9-13-21)26(22)34-27(31)19-15-16-23-24(17-19)33-18-32-23/h4-13,15-17H,2-3,14,18H2,1H3