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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-[1-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-phthalidylacetyl)-4-piperidyl]nicotinamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C28H31N5O4/c1-19-7-8-23(27(35)30-11-4-13-32-16-12-29-18-32)26(31-19)20-9-14-33(15-10-20)25(34)17-24-21-5-2-3-6-22(21)28(36)37-24/h2-3,5-8,12,16,18,20,24H,4,9-11,13-15,17H2,1H3,(H,30,35)