[4-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]piperazino]-(2-furyl)methanone Formula: C29H28BrN3O3 MolecularWeight: 546.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C29H28BrN3O3/c1-29(2,3)20-8-6-19(7-9-20)25-18-23(22-17-21(30)10-11-24(22)31-25)27(34)32-12-14-33(15-13-32)28(35)26-5-4-16-36-26/h4-11,16-18H,12-15H2,1-3H3