1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyridin-2-yl-piperazine

Systemtic Name: 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-(2-pyridyl)piperazine CAS Name: 1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(2-pyridinyl)piperazine IUPAC Name: 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-pyridin-2-ylpiperazine Traditional Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-(2-pyridyl)piperazine Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C6=CC=CC=N6

InChI

InChI=1S/C28H27N5O/c1-2-8-22(9-3-1)19-33-21-24(28(30-33)26-18-23-10-4-5-11-25(23)34-26)20-31-14-16-32(17-15-31)27-12-6-7-13-29-27/h1-13,18,21H,14-17,19-20H2