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

Systemtic Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,5-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CS4

InChI

InChI=1S/C24H27N3O3S/c1-4-30-24(29)18-9-11-26(12-10-18)23(28)21-15-19(22-6-5-13-31-22)25-27(21)20-14-16(2)7-8-17(20)3/h5-8,13-15,18H,4,9-12H2,1-3H3