methyl 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3/c1-31-26(30)20-11-13-28(14-12-20)17-22-18-29(16-19-7-3-2-4-8-19)27-25(22)24-15-21-9-5-6-10-23(21)32-24/h2-10,15,18,20H,11-14,16-17H2,1H3