1-(4-fluorophenyl)-1-[3-[2-(3-methoxyphenyl)ethyl-methyl-amino]propyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[2-(3-methoxyphenyl)ethyl-methyl-amino]propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-[2-(3-methoxyphenyl)ethyl-methyl-amino]propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-[2-(3-methoxyphenyl)ethyl-methyl-amino]propyl]phthalan-5-carbonitrile Formula: C28H29FN2O2 MolecularWeight: 444.540463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)CCC4=CC(=CC=C4)OC

Isomeric SMILES

CN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)CCC4=CC(=CC=C4)OC

InChI

InChI=1S/C28H29FN2O2/c1-31(16-13-21-5-3-6-26(18-21)32-2)15-4-14-28(24-8-10-25(29)11-9-24)27-12-7-22(19-30)17-23(27)20-33-28/h3,5-12,17-18H,4,13-16,20H2,1-2H3