[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC(C)C)C3=CC=CC=C3)C

InChI

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