2-[1-(1-benzofuran-2-ylcarbonyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-(1-benzofuran-2-ylcarbonyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-(benzofuran-2-carbonyl)-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[2-benzofuranyl(oxo)methyl]-4-piperidinyl]-N-[3-(1-imidazolyl)propyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-(benzofuran-2-carbonyl)-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-nicotinamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H29N5O3/c1-19-7-8-22(26(33)29-11-4-13-31-16-12-28-18-31)25(30-19)20-9-14-32(15-10-20)27(34)24-17-21-5-2-3-6-23(21)35-24/h2-3,5-8,12,16-18,20H,4,9-11,13-15H2,1H3,(H,29,33)