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

Systemtic Name: ethyl 1-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H28ClN3O3/c1-4-33-26(32)20-8-7-13-29(16-20)25(31)24-15-22(19-12-11-17(2)18(3)14-19)28-30(24)23-10-6-5-9-21(23)27/h5-6,9-12,14-15,20H,4,7-8,13,16H2,1-3H3