ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3,4-dimethylphenyl)-2-methyl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-methylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(3,4-dimethylphenyl)-2-methyl-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H27N3O3/c1-5-27-21(26)16-8-10-24(11-9-16)20(25)19-13-18(22-23(19)4)17-7-6-14(2)15(3)12-17/h6-7,12-13,16H,5,8-11H2,1-4H3