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

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-[(1-ethylpyrazol-4-yl)methyl]nipecotic acid ethyl ester Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN2CCCC(C2)(CC3=CC(=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H28ClN3O2/c1-3-25-15-18(13-23-25)14-24-10-6-9-21(16-24,20(26)27-4-2)12-17-7-5-8-19(22)11-17/h5,7-8,11,13,15H,3-4,6,9-10,12,14,16H2,1-2H3