ethyl 1-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-phenyl-1H-pyrazole-5-carbonyl)nipecotic acid ethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-2-24-18(23)14-9-6-10-21(12-14)17(22)16-11-15(19-20-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,19,20)