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

Systemtic Name: ethyl 1-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-3-32-26(31)22-13-15-28(16-14-22)25(30)23-18-29(17-20-7-5-4-6-8-20)27-24(23)21-11-9-19(2)10-12-21/h4-12,18,22H,3,13-17H2,1-2H3