N-(2-methylpropyl)-5-[4-oxidanyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-[4-oxidanyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-4-piperidyl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidinyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-4-piperidyl]-N-isobutyl-coumarilamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CCN(CC3)CC4=CC=CN4C5=CC=CC=N5)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CCN(CC3)CC4=CC=CN4C5=CC=CC=N5)O

InChI

InChI=1S/C28H32N4O3/c1-20(2)18-30-27(33)25-17-21-16-22(8-9-24(21)35-25)28(34)10-14-31(15-11-28)19-23-6-5-13-32(23)26-7-3-4-12-29-26/h3-9,12-13,16-17,20,34H,10-11,14-15,18-19H2,1-2H3,(H,30,33)