ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCC(CC2)(CC3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCC(CC2)(CC3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H30ClN3O2/c1-4-26-16-19(17(3)24-26)15-25-12-10-22(11-13-25,21(27)28-5-2)14-18-6-8-20(23)9-7-18/h6-9,16H,4-5,10-15H2,1-3H3