ethyl 1-(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-bromo-2-methyl-pyrazole-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromo-2-methylpyrazole-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromo-2-methyl-pyrazole-3-carbonyl)isonipecotic acid ethyl ester Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=NN2C)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=NN2C)Br

InChI

InChI=1S/C13H18BrN3O3/c1-3-20-13(19)9-4-6-17(7-5-9)12(18)11-10(14)8-15-16(11)2/h8-9H,3-7H2,1-2H3