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

Systemtic Name: ethyl 1-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,4-dimethylphenyl)-5-phenylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-4-32-26(31)21-12-14-28(15-13-21)25(30)24-17-22(20-8-6-5-7-9-20)27-29(24)23-11-10-18(2)16-19(23)3/h5-11,16-17,21H,4,12-15H2,1-3H3