ethyl 3-(phenylmethyl)-1-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-(phenylmethyl)-1-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(1-benzylpyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(1-benzylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 3-benzyl-1-(1-benzylpyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-2-32-25(31)26(16-21-10-5-3-6-11-21)14-9-15-28(20-26)24(30)23-17-27-29(19-23)18-22-12-7-4-8-13-22/h3-8,10-13,17,19H,2,9,14-16,18,20H2,1H3