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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCN2C=CC=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCN2C=CC=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3O2/c1-2-27-20(26)21(17-18-5-7-19(22)8-6-18)9-15-24(16-10-21)12-4-14-25-13-3-11-23-25/h3,5-8,11,13H,2,4,9-10,12,14-17H2,1H3