methyl 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]isonipecotic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)OC)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)OC)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N3O5/c1-31-21-10-9-18(15-22(21)32-2)23-20(16-28(26-23)19-7-5-4-6-8-19)24(29)27-13-11-17(12-14-27)25(30)33-3/h4-10,15-17H,11-14H2,1-3H3