3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-6-isocyano-2-benzofuran-1-one

Systemtic Name: 3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-6-isocyano-2-benzofuran-1-one Openeye Name: 3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-6-isocyano-isobenzofuran-1-one CAS Name: 3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-6-isocyano-1-isobenzofuranone IUPAC Name: 3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-6-isocyano-2-benzofuran-1-one Traditional Name: 3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-6-isocyano-phthalide Formula: C20H19FN2O2 MolecularWeight: 338.375463

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(C=C(C=C2)[N+]#[C-])C(=O)O1)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCCC1(C2=C(C=C(C=C2)[N+]#[C-])C(=O)O1)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O2/c1-22-16-9-10-18-17(13-16)19(24)25-20(18,11-4-12-23(2)3)14-5-7-15(21)8-6-14/h5-10,13H,4,11-12H2,2-3H3