propan-2-yl 4-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C16H22BrN5O3 MolecularWeight: 412.28158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C(C)N2C=C(C(=N2)C)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C(C)N2C=C(C(=N2)C)Br

InChI

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