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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-15-7-9-17(10-8-15)18-13-19(24-23-18)21(26)27-14-20(25)22-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,24)