[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H25N3O5/c1-15-4-7-17(8-5-15)18-13-19(26-25-18)23(28)31-14-22(27)24-11-10-16-6-9-20(29-2)21(12-16)30-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,27)(H,25,26)