ethyl 3-phenethyl-1-[3-(pyrazol-1-ylmethyl)phenyl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-phenethyl-1-[3-(pyrazol-1-ylmethyl)phenyl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-phenethyl-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(1-pyrazolylmethyl)phenyl]methyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-phenethyl-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-3-carboxylate Traditional Name: 3-phenethyl-1-[3-(pyrazol-1-ylmethyl)benzoyl]nipecotic acid ethyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=CC=C2)CN3C=CC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-2-33-26(32)27(15-13-22-9-4-3-5-10-22)14-7-17-29(21-27)25(31)24-12-6-11-23(19-24)20-30-18-8-16-28-30/h3-6,8-12,16,18-19H,2,7,13-15,17,20-21H2,1H3