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

Systemtic Name: 1-(4-fluorophenyl)-1-[3-(3-phenylmethoxypropylamino)propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[3-(3-benzyloxypropylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-(3-phenylmethoxypropylamino)propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-(3-phenylmethoxypropylamino)propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[3-(3-benzoxypropylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C28H29FN2O2 MolecularWeight: 444.540463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCOCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCOCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN2O2/c29-26-11-9-25(10-12-26)28(27-13-8-23(19-30)18-24(27)21-33-28)14-4-15-31-16-5-17-32-20-22-6-2-1-3-7-22/h1-3,6-13,18,31H,4-5,14-17,20-21H2