ethyl 1-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(C)C

InChI

InChI=1S/C21H26ClN3O3/c1-4-28-21(27)15-7-6-10-24(13-15)20(26)18-12-23-25(19(18)14(2)3)17-9-5-8-16(22)11-17/h5,8-9,11-12,14-15H,4,6-7,10,13H2,1-3H3