[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-16(20(25)23(2)14-17-9-5-3-6-10-17)27-21(26)18-13-22-24(15-18)19-11-7-4-8-12-19/h3-13,15-16H,14H2,1-2H3