[4-[4-butyl-3-(dimethylcarbamoyloxy)-5-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] ethanoate

Systemtic Name: [4-[4-butyl-3-(dimethylcarbamoyloxy)-5-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] ethanoate Openeye Name: [4-[4-butyl-3-(dimethylcarbamoyloxy)-5-oxo-2-phenyl-pyrazol-1-yl]phenyl] acetate CAS Name: acetic acid [4-[4-butyl-3-[dimethylamino(oxo)methoxy]-5-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-3-(dimethylcarbamoyloxy)-5-oxo-2-phenylpyrazol-1-yl]phenyl] acetate Traditional Name: acetic acid [4-[4-butyl-3-(dimethylcarbamoyloxy)-5-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5/c1-5-6-12-21-22(29)26(19-13-15-20(16-14-19)31-17(2)28)27(18-10-8-7-9-11-18)23(21)32-24(30)25(3)4/h7-11,13-16H,5-6,12H2,1-4H3