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

Systemtic Name: 3-[2-methoxy-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzenecarbonitrile Openeye Name: 3-[2-methoxy-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile CAS Name: 3-[2-methoxy-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]benzonitrile IUPAC Name: 3-[2-methoxy-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzonitrile Traditional Name: 3-[2-methoxy-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile Formula: C25H15N5O MolecularWeight: 401.4195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=CC(=C4)C#N)C#CC5=CN=CC=C5

Isomeric SMILES

COC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=CC(=C4)C#N)C#CC5=CN=CC=C5

InChI

InChI=1S/C25H15N5O/c1-31-25-29-23-16-28-22-10-9-17(7-8-18-5-3-11-27-15-18)13-21(22)24(23)30(25)20-6-2-4-19(12-20)14-26/h2-6,9-13,15-16H,1H3