[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

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