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

Systemtic Name: 2-[4-[2-ethyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[2-ethyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile CAS Name: 2-[4-[2-ethyl-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[2-ethyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Traditional Name: 2-[4-[2-ethyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Formula: C27H19N5 MolecularWeight: 413.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)CC#N)C#CC5=CN=CC=C5

Isomeric SMILES

CCC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)CC#N)C#CC5=CN=CC=C5

InChI

InChI=1S/C27H19N5/c1-2-26-31-25-18-30-24-12-9-20(5-6-21-4-3-15-29-17-21)16-23(24)27(25)32(26)22-10-7-19(8-11-22)13-14-28/h3-4,7-12,15-18H,2,13H2,1H3