[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-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-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-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-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C)Br

InChI

InChI=1S/C21H21BrN4O3/c1-13(2)20-16(11-24-26(20)18-6-4-5-9-23-18)21(28)29-12-19(27)25-15-7-8-17(22)14(3)10-15/h4-11,13H,12H2,1-3H3,(H,25,27)