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

Systemtic Name: 5-[2-(dimethylamino)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-(4-methylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-[2-(dimethylamino)-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]-2-(4-methylpiperazin-1-yl)benzonitrile CAS Name: 5-[2-(dimethylamino)-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]-2-(4-methyl-1-piperazinyl)benzonitrile IUPAC Name: 5-[2-(dimethylamino)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-(4-methylpiperazin-1-yl)benzonitrile Traditional Name: 5-[2-(dimethylamino)-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]-2-(4-methylpiperazino)benzonitrile Formula: C31H28N8 MolecularWeight: 512.60762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)N3C4=C5C=C(C=CC5=NC=C4N=C3N(C)C)C#CC6=CN=CC=C6)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)N3C4=C5C=C(C=CC5=NC=C4N=C3N(C)C)C#CC6=CN=CC=C6)C#N

InChI

InChI=1S/C31H28N8/c1-36(2)31-35-28-21-34-27-10-8-22(6-7-23-5-4-12-33-20-23)17-26(27)30(28)39(31)25-9-11-29(24(18-25)19-32)38-15-13-37(3)14-16-38/h4-5,8-12,17-18,20-21H,13-16H2,1-3H3