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

Systemtic Name: 1-[4-[4-[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]piperazino]phenyl]ethanone Formula: C29H26BrN3O2 MolecularWeight: 528.43964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C29H26BrN3O2/c1-19-4-3-5-22(16-19)28-18-26(25-17-23(30)8-11-27(25)31-28)29(35)33-14-12-32(13-15-33)24-9-6-21(7-10-24)20(2)34/h3-11,16-18H,12-15H2,1-2H3