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

Systemtic Name: 1-(3-fluoranyl-4-piperazin-1-yl-phenyl)-2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinoline Openeye Name: 1-(3-fluoro-4-piperazin-1-yl-phenyl)-2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinoline CAS Name: 1-[3-fluoro-4-(1-piperazinyl)phenyl]-2-methyl-8-[2-(3-pyridinyl)ethynyl]imidazo[4,5-c]quinoline IUPAC Name: 1-(3-fluoro-4-piperazin-1-ylphenyl)-2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinoline Traditional Name: 1-(3-fluoro-4-piperazino-phenyl)-2-methyl-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinoline Formula: C28H23FN6 MolecularWeight: 462.520823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)N5CCNCC5)F)C#CC6=CN=CC=C6

Isomeric SMILES

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC(=C(C=C4)N5CCNCC5)F)C#CC6=CN=CC=C6

InChI

InChI=1S/C28H23FN6/c1-19-33-26-18-32-25-8-6-20(4-5-21-3-2-10-31-17-21)15-23(25)28(26)35(19)22-7-9-27(24(29)16-22)34-13-11-30-12-14-34/h2-3,6-10,15-18,30H,11-14H2,1H3