ethyl 3-[(3-chlorophenyl)methyl]-1-[(5-propan-2-yl-1H-pyrazol-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[(5-propan-2-yl-1H-pyrazol-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(5-isopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[oxo-(5-propan-2-yl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-(5-isopropyl-1H-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=C2)C(C)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=C2)C(C)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-4-29-21(28)22(13-16-7-5-8-17(23)11-16)9-6-10-26(14-22)20(27)19-12-18(15(2)3)24-25-19/h5,7-8,11-12,15H,4,6,9-10,13-14H2,1-3H3,(H,24,25)