[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-14(2)20-17(12-25-26(20)18-5-3-4-10-23-18)21(28)29-13-19(27)24-11-15-6-8-16(22)9-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,24,27)