methyl 1-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzoyl]isonipecotic acid methyl ester Formula: C23H21Cl2N3O3 MolecularWeight: 458.33714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NNC(=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H21Cl2N3O3/c1-31-23(30)16-8-10-28(11-9-16)22(29)15-4-2-14(3-5-15)20-13-21(27-26-20)18-7-6-17(24)12-19(18)25/h2-7,12-13,16H,8-11H2,1H3,(H,26,27)