[2-oxidanylidene-2-(phenethylamino)ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

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