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

Systemtic Name: 2-[3-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile Openeye Name: 2-[3-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile CAS Name: 2-[3-[8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]phenyl]acetonitrile IUPAC Name: 2-[3-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Traditional Name: 2-[3-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Formula: C25H15N5 MolecularWeight: 385.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC3=CN=C4C=CC(=CC4=C32)C#CC5=CN=CC=C5)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC3=CN=C4C=CC(=CC4=C32)C#CC5=CN=CC=C5)CC#N

InChI

InChI=1S/C25H15N5/c26-11-10-18-3-1-5-21(13-18)30-17-29-24-16-28-23-9-8-19(14-22(23)25(24)30)6-7-20-4-2-12-27-15-20/h1-5,8-9,12-17H,10H2