methyl 2-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-(5-bromo-2-pyridyl)piperazino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=NC=C(C=C4)Br

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN6O2/c1-30-21(29)15(12-23)19-20(26-17-5-3-2-4-16(17)25-19)28-10-8-27(9-11-28)18-7-6-14(22)13-24-18/h2-7,13,15H,8-11H2,1H3