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

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C23H32ClN3O2 MolecularWeight: 417.97208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC=C(C=C3)Cl)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C=N1)CN2CCC(CC2)(CC3=CC=C(C=C3)Cl)C(=O)OCC)C

InChI

InChI=1S/C23H32ClN3O2/c1-4-12-27-18(3)20(16-25-27)17-26-13-10-23(11-14-26,22(28)29-5-2)15-19-6-8-21(24)9-7-19/h6-9,16H,4-5,10-15,17H2,1-3H3