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

Systemtic Name: [4-[4-butyl-5-(diethylcarbamoyloxy)-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-5-(diethylcarbamoyloxy)-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-5-[diethylamino(oxo)methoxy]-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-5-(diethylcarbamoyloxy)-3-oxo-2-phenylpyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[4-butyl-5-(diethylcarbamoyloxy)-3-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] ester Formula: C31H33N3O5 MolecularWeight: 527.61082

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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)N(CC)CC

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)N(CC)CC

InChI

InChI=1S/C31H33N3O5/c1-4-7-18-27-28(35)33(24-16-12-9-13-17-24)34(29(27)39-31(37)32(5-2)6-3)25-19-21-26(22-20-25)38-30(36)23-14-10-8-11-15-23/h8-17,19-22H,4-7,18H2,1-3H3