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

Systemtic Name: ethyl 1-[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O3/c1-2-32-25(31)20-12-14-28(15-13-20)24(30)22-17-29(16-18-6-4-3-5-7-18)27-23(22)19-8-10-21(26)11-9-19/h3-11,17,20H,2,12-16H2,1H3