5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)furan-2-carboxamide

Systemtic Name: 5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)furan-2-carboxamide Openeye Name: 5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-isobutyl-furan-2-carboxamide CAS Name: 5-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)-2-furancarboxamide IUPAC Name: 5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)furan-2-carboxamide Traditional Name: 5-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-isobutyl-2-furamide Formula: C28H31FN2O4 MolecularWeight: 478.555143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC4=CC=C(O4)C(=O)NCC(C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC4=CC=C(O4)C(=O)NCC(C)C

InChI

InChI=1S/C28H31FN2O4/c1-4-26(32)31-13-12-19-8-9-22(15-24(19)27(31)20-6-5-7-21(29)14-20)34-17-23-10-11-25(35-23)28(33)30-16-18(2)3/h5-11,14-15,18,27H,4,12-13,16-17H2,1-3H3,(H,30,33)