[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O3/c1-18-14-19(2)26(20(3)15-18)28-25(31)17-33-27(32)24-16-23(21-10-6-4-7-11-21)29-30(24)22-12-8-5-9-13-22/h4-16H,17H2,1-3H3,(H,28,31)