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

Systemtic Name: 3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1-iodanyl-3H-2-benzofuran-5-carbonitrile Openeye Name: 3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1-iodo-3H-isobenzofuran-5-carbonitrile CAS Name: 3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1-iodo-3H-isobenzofuran-5-carbonitrile IUPAC Name: 3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1-iodo-3H-2-benzofuran-5-carbonitrile Traditional Name: 3-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1-iodo-phthalan-5-carbonitrile Formula: C20H20FIN2O MolecularWeight: 450.288473

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1C2=C(C=CC(=C2)C#N)C(O1)(C3=CC=C(C=C3)F)I

Isomeric SMILES

CN(C)CCCC1C2=C(C=CC(=C2)C#N)C(O1)(C3=CC=C(C=C3)F)I

InChI

InChI=1S/C20H20FIN2O/c1-24(2)11-3-4-19-17-12-14(13-23)5-10-18(17)20(22,25-19)15-6-8-16(21)9-7-15/h5-10,12,19H,3-4,11H2,1-2H3