ethyl 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]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=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

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