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

Systemtic Name: 2-piperazin-1-yl-5-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzenecarbonitrile Openeye Name: 2-piperazin-1-yl-5-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile CAS Name: 2-(1-piperazinyl)-5-[8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]benzonitrile IUPAC Name: 2-piperazin-1-yl-5-[8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]benzonitrile Traditional Name: 2-piperazino-5-[8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]benzonitrile Formula: C28H21N7 MolecularWeight: 455.51324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)N3C=NC4=CN=C5C=CC(=CC5=C43)C#CC6=CN=CC=C6)C#N

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)N3C=NC4=CN=C5C=CC(=CC5=C43)C#CC6=CN=CC=C6)C#N

InChI

InChI=1S/C28H21N7/c29-16-22-15-23(6-8-27(22)34-12-10-30-11-13-34)35-19-33-26-18-32-25-7-5-20(14-24(25)28(26)35)3-4-21-2-1-9-31-17-21/h1-2,5-9,14-15,17-19,30H,10-13H2