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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C(C)CN2C=C(C=N2)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C(C)CN2C=C(C=N2)Br

InChI

InChI=1S/C14H18BrN5O3/c1-4-19-8-11(12(18-19)14(22)23-3)17-13(21)9(2)6-20-7-10(15)5-16-20/h5,7-9H,4,6H2,1-3H3,(H,17,21)