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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

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