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

Systemtic Name: 2,6-bis(fluoranyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Openeye Name: 2,6-difluoro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]benzamide CAS Name: 2,6-difluoro-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]benzamide IUPAC Name: 2,6-difluoro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Traditional Name: 2,6-difluoro-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]benzamide Formula: C25H22F2N6O MolecularWeight: 460.478586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22F2N6O/c1-16-14-22(32-10-12-33(13-11-32)25-28-8-3-9-29-25)31-21-7-6-17(15-18(16)21)30-24(34)23-19(26)4-2-5-20(23)27/h2-9,14-15H,10-13H2,1H3,(H,30,34)