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

Systemtic Name: 1-(3-fluoranyl-4-piperazin-1-yl-phenyl)-3-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-one Openeye Name: 1-(3-fluoro-4-piperazin-1-yl-phenyl)-3-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-2-one CAS Name: 1-[3-fluoro-4-(1-piperazinyl)phenyl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-2-imidazo[4,5-c]quinolinone IUPAC Name: 1-(3-fluoro-4-piperazin-1-ylphenyl)-3-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-one Traditional Name: 1-(3-fluoro-4-piperazino-phenyl)-3-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-2-one Formula: C28H23FN6O MolecularWeight: 478.520223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)F)C#CC6=CN=CC=C6

Isomeric SMILES

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)F)C#CC6=CN=CC=C6

InChI

InChI=1S/C28H23FN6O/c1-33-26-18-32-24-8-6-19(4-5-20-3-2-10-31-17-20)15-22(24)27(26)35(28(33)36)21-7-9-25(23(29)16-21)34-13-11-30-12-14-34/h2-3,6-10,15-18,30H,11-14H2,1H3