ethyl 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-2-29-23(28)18-10-6-12-25(15-18)22(27)19-16-26(14-17-8-4-3-5-9-17)24-21(19)20-11-7-13-30-20/h3-5,7-9,11,13,16,18H,2,6,10,12,14-15H2,1H3