[2-(methylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(4-isopropylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 3-p-cumenyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-15(2)16-9-11-17(12-10-16)21-19(22(27)28-14-20(26)23-3)13-25(24-21)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3,(H,23,26)