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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Openeye Name: 5-bromo-2-chloro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]benzamide CAS Name: 5-bromo-2-chloro-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]benzamide Formula: C25H22BrClN6O MolecularWeight: 537.83878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrClN6O/c1-16-13-23(32-9-11-33(12-10-32)25-28-7-2-8-29-25)31-22-6-4-18(15-19(16)22)30-24(34)20-14-17(26)3-5-21(20)27/h2-8,13-15H,9-12H2,1H3,(H,30,34)