[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O3/c1-17-13-18(2)24(19(3)14-17)29-26(32)20(4)34-27(33)23-16-31(22-10-6-5-7-11-22)30-25(23)21-9-8-12-28-15-21/h5-16,20H,1-4H3,(H,29,32)