ethyl 1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-2-28-22(27)16-10-12-24(13-11-16)21(26)18-15-25(17-7-4-3-5-8-17)23-20(18)19-9-6-14-29-19/h3-9,14-16H,2,10-13H2,1H3