1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxidanyl-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxidanyl-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-phthalan-5-carbonitrile Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O2/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/h4-9,12,19,24H,3,10-11H2,1-2H3