ethyl 1-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O3/c1-2-31-24(30)18-12-14-27(15-13-18)23(29)21-16-28(20-6-4-3-5-7-20)26-22(21)17-8-10-19(25)11-9-17/h3-11,16,18H,2,12-15H2,1H3