[1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25N3O3/c1-4-14-24-22(27)17(3)29-23(28)20-15-26(19-12-10-16(2)11-13-19)25-21(20)18-8-6-5-7-9-18/h5-13,15,17H,4,14H2,1-3H3,(H,24,27)