[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-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=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

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