2-[2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-[4-(4-fluorophenyl)-4-oxo-butanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[4-(4-fluorophenyl)-1,4-dioxobutyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-[4-(4-fluorophenyl)-4-oxobutanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-[4-(4-fluorophenyl)-4-keto-butanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)C3=CC=C(C=C3)F)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC(=O)C3=CC=C(C=C3)F)CC#N)OC

InChI

InChI=1S/C23H23FN2O4/c1-29-21-13-16-10-12-26(19(9-11-25)18(16)14-22(21)30-2)23(28)8-7-20(27)15-3-5-17(24)6-4-15/h3-6,13-14,19H,7-10,12H2,1-2H3