3-[1-(4-fluorophenyl)-5-isocyano-3H-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine oxide

Systemtic Name: 3-[1-(4-fluorophenyl)-5-isocyano-3H-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine oxide Openeye Name: 3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N,N-dimethyl-propan-1-amine oxide CAS Name: 3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N,N-dimethyl-1-propanamine oxide IUPAC Name: 3-[1-(4-fluorophenyl)-5-isocyano-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide Traditional Name: 3-[1-(4-fluorophenyl)-5-isocyano-phthalan-1-yl]-N,N-dimethyl-propan-1-amine oxide Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)[N+]#[C-])C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)[N+]#[C-])C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C20H21FN2O2/c1-22-18-9-10-19-15(13-18)14-25-20(19,11-4-12-23(2,3)24)16-5-7-17(21)8-6-16/h5-10,13H,4,11-12,14H2,2-3H3