2-[4-[4-azanyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-azanyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-amino-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile CAS Name: 2-[4-[4-amino-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[4-amino-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Traditional Name: 2-[4-[4-amino-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Formula: C25H16N6 MolecularWeight: 400.43474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C#CC2=CC3=C(C=C2)N=C(C4=C3N(C=N4)C5=CC=C(C=C5)CC#N)N

Isomeric SMILES

C1=CC(=CN=C1)C#CC2=CC3=C(C=C2)N=C(C4=C3N(C=N4)C5=CC=C(C=C5)CC#N)N

InChI

InChI=1S/C25H16N6/c26-12-11-17-5-8-20(9-6-17)31-16-29-23-24(31)21-14-18(7-10-22(21)30-25(23)27)3-4-19-2-1-13-28-15-19/h1-2,5-10,13-16H,11H2,(H2,27,30)