ethyl 1-[2-(4-methoxyphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-methoxyphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-methoxyphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-methoxyphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-methoxyphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C23H25N3O4S/c1-3-30-23(28)16-6-4-12-25(15-16)22(27)20-14-19(21-7-5-13-31-21)24-26(20)17-8-10-18(29-2)11-9-17/h5,7-11,13-14,16H,3-4,6,12,15H2,1-2H3