(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxidanylidene-2-benzofuran-5-carbonitrile

Systemtic Name: (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxidanylidene-2-benzofuran-5-carbonitrile Openeye Name: (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-isobenzofuran-5-carbonitrile CAS Name: (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-5-isobenzofurancarbonitrile IUPAC Name: (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile Traditional Name: (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-keto-phthalan-5-carbonitrile Formula: C20H19FN2O2 MolecularWeight: 338.375463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCC[C@]1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O2/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20/h4-9,12H,3,10-11H2,1-2H3/t20-/m1/s1