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

Systemtic Name: N-methyl-2-[4-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine Openeye Name: N-methyl-2-[4-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine CAS Name: N-methyl-2-[4-[8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]phenyl]ethanamine IUPAC Name: N-methyl-2-[4-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine Traditional Name: methyl-[2-[4-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]ethyl]amine Formula: C26H21N5 MolecularWeight: 403.47844

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC=C(C=C1)N2C=NC3=CN=C4C=CC(=CC4=C32)C#CC5=CN=CC=C5

Isomeric SMILES

CNCCC1=CC=C(C=C1)N2C=NC3=CN=C4C=CC(=CC4=C32)C#CC5=CN=CC=C5

InChI

InChI=1S/C26H21N5/c1-27-14-12-19-6-9-22(10-7-19)31-18-30-25-17-29-24-11-8-20(15-23(24)26(25)31)4-5-21-3-2-13-28-16-21/h2-3,6-11,13,15-18,27H,12,14H2,1H3