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

Systemtic Name: ethyl 1-(4-bromanyl-2-ethyl-pyrazol-3-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-bromo-2-ethyl-pyrazole-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromo-2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromo-2-ethyl-pyrazole-3-carbonyl)isonipecotic acid ethyl ester Formula: C14H20BrN3O3 MolecularWeight: 358.2309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C14H20BrN3O3/c1-3-18-12(11(15)9-16-18)13(19)17-7-5-10(6-8-17)14(20)21-4-2/h9-10H,3-8H2,1-2H3