5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-(2-oxidanylidenepyrrolidin-1-yl)benzenecarbonitrile

Systemtic Name: 5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-(2-oxidanylidenepyrrolidin-1-yl)benzenecarbonitrile Openeye Name: 5-[2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]-2-(2-oxopyrrolidin-1-yl)benzonitrile CAS Name: 5-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]-2-(2-oxo-1-pyrrolidinyl)benzonitrile IUPAC Name: 5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-(2-oxopyrrolidin-1-yl)benzonitrile Traditional Name: 2-(2-ketopyrrolidino)-5-[2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile Formula: C29H20N6O MolecularWeight: 468.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)N5CCCC5=O)C#N)C#CC6=CN=CC=C6

Isomeric SMILES

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)N5CCCC5=O)C#N)C#CC6=CN=CC=C6

InChI

InChI=1S/C29H20N6O/c1-19-33-26-18-32-25-10-8-20(6-7-21-4-2-12-31-17-21)14-24(25)29(26)35(19)23-9-11-27(22(15-23)16-30)34-13-3-5-28(34)36/h2,4,8-12,14-15,17-18H,3,5,13H2,1H3