N-[2,4-bis(fluoranyl)phenyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2,4-difluorophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2,4-difluorophenyl)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2,4-difluorophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2,4-difluorophenyl)-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H16F2N2O3 MolecularWeight: 382.360146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H16F2N2O3/c22-15-7-8-17(16(23)11-15)24-20(26)18-10-13-4-1-2-5-14(13)12-25(18)21(27)19-6-3-9-28-19/h1-9,11,18H,10,12H2,(H,24,26)