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

Systemtic Name: ethyl 1-[2-(3,4-dichlorophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dichlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3,4-dichlorophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,4-dichlorophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C22H21Cl2N3O3S MolecularWeight: 478.39144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O3S/c1-2-30-22(29)14-5-3-9-26(13-14)21(28)19-12-18(20-6-4-10-31-20)25-27(19)15-7-8-16(23)17(24)11-15/h4,6-8,10-12,14H,2-3,5,9,13H2,1H3