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

Systemtic Name: propan-2-yl 4-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H22BrN5O3 MolecularWeight: 412.28158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN5O3/c1-5-13(22-8-11(17)7-18-22)15(23)19-12-9-21(6-2)20-14(12)16(24)25-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,19,23)