ethyl 1-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C21H26BrN3O3 MolecularWeight: 448.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C21H26BrN3O3/c1-4-28-21(27)18-9-11-24(12-10-18)20(26)17-7-5-16(6-8-17)13-25-15(3)19(22)14(2)23-25/h5-8,18H,4,9-13H2,1-3H3