2-(furan-2-ylcarbonyl)-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(furan-2-ylcarbonyl)-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(furan-2-carbonyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-furanyl(oxo)methyl]-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(furan-2-carbonyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-furoyl)-N-[3-(2-ketopyrrolidino)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5

InChI

InChI=1S/C26H25N3O4/c30-24-11-4-12-28(24)21-9-3-6-18(14-21)16-27-25(31)22-15-19-7-1-2-8-20(19)17-29(22)26(32)23-10-5-13-33-23/h1-3,5-10,13-14,22H,4,11-12,15-17H2,(H,27,31)