ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(2-pyrazol-1-ylbenzoyl)isonipecotic acid ethyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC=C2N3C=CC=N3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC=C2N3C=CC=N3)CCCC4=CC=CC=C4

InChI

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