2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoranyl-imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoranyl-imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoro-imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile CAS Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoro-1-imidazo[4,5-c]quinolinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Traditional Name: 2-[4-[8-(1,3-benzodioxol-5-yl)-7-fluoro-imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Formula: C25H15FN4O2 MolecularWeight: 422.410603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=C4C(=C3)C5=C(C=N4)N=CN5C6=CC=C(C=C6)CC#N)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=C4C(=C3)C5=C(C=N4)N=CN5C6=CC=C(C=C6)CC#N)F

InChI

InChI=1S/C25H15FN4O2/c26-20-11-21-19(10-18(20)16-3-6-23-24(9-16)32-14-31-23)25-22(12-28-21)29-13-30(25)17-4-1-15(2-5-17)7-8-27/h1-6,9-13H,7,14H2