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

Systemtic Name: ethyl 1-[5-(2-chlorophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-chlorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(2-chlorophenyl)-2-(4-methoxyphenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-chlorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2-chlorophenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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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=CC=C4Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O4/c1-3-33-25(31)17-7-6-14-28(16-17)24(30)23-15-22(20-8-4-5-9-21(20)26)27-29(23)18-10-12-19(32-2)13-11-18/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3