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

Systemtic Name: 2-[[1-(4-fluorophenyl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enyl-butanamide Openeye Name: N-allyl-2-[[1-(4-fluorophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide CAS Name: 2-[[1-(4-fluorophenyl)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylbutanamide IUPAC Name: 2-[[1-(4-fluorophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylbutanamide Traditional Name: N-allyl-2-[[1-(4-fluorophenyl)-2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butyramide Formula: C27H27FN2O4 MolecularWeight: 462.512683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC=C)OC1=CC2=C(CCN(C2C3=CC=C(C=C3)F)C(=O)C4=CC=CO4)C=C1

Isomeric SMILES

CCC(C(=O)NCC=C)OC1=CC2=C(CCN(C2C3=CC=C(C=C3)F)C(=O)C4=CC=CO4)C=C1

InChI

InChI=1S/C27H27FN2O4/c1-3-14-29-26(31)23(4-2)34-21-12-9-18-13-15-30(27(32)24-6-5-16-33-24)25(22(18)17-21)19-7-10-20(28)11-8-19/h3,5-12,16-17,23,25H,1,4,13-15H2,2H3,(H,29,31)