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

Systemtic Name: 2-[4-[2-[3-(dimethylamino)propyl]-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[2-[3-(dimethylamino)propyl]-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile CAS Name: 2-[4-[2-[3-(dimethylamino)propyl]-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[2-[3-(dimethylamino)propyl]-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Traditional Name: 2-[4-[2-[3-(dimethylamino)propyl]-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile Formula: C30H26N6 MolecularWeight: 470.56764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)CC#N)C#CC5=CN=CC=C5

Isomeric SMILES

CN(C)CCCC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)CC#N)C#CC5=CN=CC=C5

InChI

InChI=1S/C30H26N6/c1-35(2)18-4-6-29-34-28-21-33-27-14-11-23(7-8-24-5-3-17-32-20-24)19-26(27)30(28)36(29)25-12-9-22(10-13-25)15-16-31/h3,5,9-14,17,19-21H,4,6,15,18H2,1-2H3