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

Systemtic Name: ethyl 1-[5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2-chlorophenyl)-2-(2,5-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=C(C=CC(=C3)C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4Cl

InChI

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