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

Systemtic Name: 5-[2-methoxy-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-yl-benzenecarbonitrile Openeye Name: 5-[2-methoxy-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-yl-benzonitrile CAS Name: 5-[2-methoxy-8-[2-(3-pyridinyl)ethynyl]-1-imidazo[4,5-c]quinolinyl]-2-(1-piperazinyl)benzonitrile IUPAC Name: 5-[2-methoxy-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]-2-piperazin-1-ylbenzonitrile Traditional Name: 5-[2-methoxy-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-1-yl]-2-piperazino-benzonitrile Formula: C29H23N7O MolecularWeight: 485.53922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)N5CCNCC5)C#N)C#CC6=CN=CC=C6

Isomeric SMILES

COC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)N5CCNCC5)C#N)C#CC6=CN=CC=C6

InChI

InChI=1S/C29H23N7O/c1-37-29-34-26-19-33-25-8-6-20(4-5-21-3-2-10-32-18-21)15-24(25)28(26)36(29)23-7-9-27(22(16-23)17-30)35-13-11-31-12-14-35/h2-3,6-10,15-16,18-19,31H,11-14H2,1H3