methyl 4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C=C(C=N2)Br

InChI

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