N-[4-(furan-3-ylcarbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[4-(furan-3-ylcarbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[4-[[3-furanyl(oxo)methyl]amino]-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[4-(3-furoylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H18F3N3O3 MolecularWeight: 429.39183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)NC(=O)C4=COC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)NC(=O)C4=COC=C4)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O3/c23-22(24,25)18-11-17(26-20(29)16-8-10-31-13-16)5-6-19(18)27-21(30)28-9-7-14-3-1-2-4-15(14)12-28/h1-6,8,10-11,13H,7,9,12H2,(H,26,29)(H,27,30)