methyl 2-[4-[2-(5-bromanyl-1H-indol-3-yl)quinolin-4-yl]carbonylpiperazin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[4-[2-(5-bromanyl-1H-indol-3-yl)quinolin-4-yl]carbonylpiperazin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[4-[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-[[2-(5-bromo-1H-indol-3-yl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-oxoacetate Traditional Name: 2-[4-[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]piperazino]-2-keto-acetic acid methyl ester Formula: C25H21BrN4O4 MolecularWeight: 521.36264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

COC(=O)C(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C25H21BrN4O4/c1-34-25(33)24(32)30-10-8-29(9-11-30)23(31)18-13-22(28-21-5-3-2-4-16(18)21)19-14-27-20-7-6-15(26)12-17(19)20/h2-7,12-14,27H,8-11H2,1H3