[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-19(2)26-22(17-29-31(26)24-14-8-9-15-28-24)27(33)34-18-25(32)30-23-13-7-6-12-21(23)16-20-10-4-3-5-11-20/h3-15,17,19H,16,18H2,1-2H3,(H,30,32)