ethyl 1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-2-31-25(30)21-14-9-15-27(17-21)24(29)22-18-28(16-19-10-5-3-6-11-19)26-23(22)20-12-7-4-8-13-20/h3-8,10-13,18,21H,2,9,14-17H2,1H3