2-fluoranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Openeye Name: 2-fluoro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]benzamide CAS Name: 2-fluoro-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]benzamide IUPAC Name: 2-fluoro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Traditional Name: 2-fluoro-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]benzamide Formula: C25H23FN6O MolecularWeight: 442.488123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3F)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3F)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H23FN6O/c1-17-15-23(31-11-13-32(14-12-31)25-27-9-4-10-28-25)30-22-8-7-18(16-20(17)22)29-24(33)19-5-2-3-6-21(19)26/h2-10,15-16H,11-14H2,1H3,(H,29,33)