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

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; propanoic acid Openeye Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; propionic acid CAS Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; propanoic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; propanoic acid Traditional Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile; propionic acid Formula: C23H27FN2O3 MolecularWeight: 398.470483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)O.CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O.C3H6O2/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;1-2-3(4)5/h4-9,12H,3,10-11,14H2,1-2H3;2H2,1H3,(H,4,5)