(2-benzamido-2-oxidanylidene-ethyl) 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-14(2)19-16(12-23-25(19)17-10-6-7-11-22-17)21(28)29-13-18(26)24-20(27)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,24,26,27)