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

Systemtic Name: 5-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-furan-2-carboxamide Openeye Name: N-allyl-5-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxamide CAS Name: 5-[[1-(3-fluorophenyl)-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-2-furancarboxamide IUPAC Name: 5-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enylfuran-2-carboxamide Traditional Name: N-allyl-5-[[1-(3-fluorophenyl)-2-isovaleryl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-2-furamide Formula: C29H31FN2O4 MolecularWeight: 490.565843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31FN2O4/c1-4-13-31-29(34)26-11-10-24(36-26)18-35-23-9-8-20-12-14-32(27(33)15-19(2)3)28(25(20)17-23)21-6-5-7-22(30)16-21/h4-11,16-17,19,28H,1,12-15,18H2,2-3H3,(H,31,34)