ethyl 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]isonipecotic acid ethyl ester Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(NN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(NN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-2-24-18(23)14-7-9-22(10-8-14)12-15-11-20-21-17(15)13-3-5-16(19)6-4-13/h3-6,11,14H,2,7-10,12H2,1H3,(H,20,21)