ethyl 1-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]isonipecotic acid ethyl ester Formula: C15H22BrN3O3 MolecularWeight: 372.25748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C15H22BrN3O3/c1-4-22-15(21)12-5-7-18(8-6-12)13(20)9-19-11(3)14(16)10(2)17-19/h12H,4-9H2,1-3H3