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

Systemtic Name: 2-(2-cyanopropan-2-yl)-5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzenecarbonitrile Openeye Name: 2-(1-cyano-1-methyl-ethyl)-5-[2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile CAS Name: 2-(2-cyanopropan-2-yl)-5-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]benzonitrile IUPAC Name: 2-(2-cyanopropan-2-yl)-5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzonitrile Traditional Name: 2-(1-cyano-1-methyl-ethyl)-5-[2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile Formula: C29H20N6 MolecularWeight: 452.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)C(C)(C)C#N)C#N)C#CC5=CN=CC=C5

Isomeric SMILES

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)C(C)(C)C#N)C#N)C#CC5=CN=CC=C5

InChI

InChI=1S/C29H20N6/c1-19-34-27-17-33-26-11-8-20(6-7-21-5-4-12-32-16-21)13-24(26)28(27)35(19)23-9-10-25(22(14-23)15-30)29(2,3)18-31/h4-5,8-14,16-17H,1-3H3