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

Systemtic Name: 2-(cyanomethyl)-5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzenecarbonitrile Openeye Name: 2-(cyanomethyl)-5-[2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile CAS Name: 2-(cyanomethyl)-5-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]benzonitrile IUPAC Name: 2-(cyanomethyl)-5-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzonitrile Traditional Name: 2-(cyanomethyl)-5-[2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile Formula: C27H16N6 MolecularWeight: 424.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H16N6/c1-18-32-26-17-31-25-9-6-19(4-5-20-3-2-12-30-16-20)13-24(25)27(26)33(18)23-8-7-21(10-11-28)22(14-23)15-29/h2-3,6-9,12-14,16-17H,10H2,1H3