[2-oxidanylidene-2-(propylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O5/c1-4-12-24-21(27)15-31-23(28)18-14-26(17-8-6-5-7-9-17)25-22(18)16-10-11-19(29-2)20(13-16)30-3/h5-11,13-14H,4,12,15H2,1-3H3,(H,24,27)