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

Systemtic Name: 4-fluoranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Openeye Name: 4-fluoro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]benzamide CAS Name: 4-fluoro-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]benzamide IUPAC Name: 4-fluoro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Traditional Name: 4-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=C(C=C3)F)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

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

InChI

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