2-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide CAS Name: 2-[[1-(3-fluorophenyl)-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylacetamide IUPAC Name: 2-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[1-(3-fluorophenyl)-2-isovaleryl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetamide Formula: C25H29FN2O3 MolecularWeight: 424.507763

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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)OCC(=O)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O3/c1-4-11-27-23(29)16-31-21-9-8-18-10-12-28(24(30)13-17(2)3)25(22(18)15-21)19-6-5-7-20(26)14-19/h4-9,14-15,17,25H,1,10-13,16H2,2-3H3,(H,27,29)