ethyl 1-[[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]nipecotic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H25N3O3/c1-4-26-20(25)16-6-5-9-23(12-16)19(24)18-11-17(21-22-18)15-8-7-13(2)14(3)10-15/h7-8,10-11,16H,4-6,9,12H2,1-3H3,(H,21,22)