ethyl 5-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C=C(C=N2)Br

InChI

InChI=1S/C14H18BrN5O3/c1-4-11(20-8-9(15)6-17-20)13(21)18-12-10(7-16-19(12)3)14(22)23-5-2/h6-8,11H,4-5H2,1-3H3,(H,18,21)