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

Systemtic Name: 2-(furan-2-ylcarbonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(furan-2-carbonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-furanyl(oxo)methyl]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(furan-2-carbonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-furoyl)-N-[2-(pyrrolidinomethyl)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5

InChI

InChI=1S/C27H29N3O3/c31-26(28-17-21-9-2-4-10-22(21)18-29-13-5-6-14-29)24-16-20-8-1-3-11-23(20)19-30(24)27(32)25-12-7-15-33-25/h1-4,7-12,15,24H,5-6,13-14,16-19H2,(H,28,31)