1-[4-[4-(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(6-bromo-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]piperazino]phenyl]ethanone Formula: C27H23BrN4O2 MolecularWeight: 515.40112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5

InChI

InChI=1S/C27H23BrN4O2/c1-18(33)19-4-7-22(8-5-19)31-11-13-32(14-12-31)27(34)24-16-26(20-3-2-10-29-17-20)30-25-9-6-21(28)15-23(24)25/h2-10,15-17H,11-14H2,1H3