ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-6,7-bis(chloranyl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-6,7-bis(chloranyl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-6,7-dichloro-quinoxaline-2-carboxylate CAS Name: 3-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]-6,7-dichloro-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-6,7-dichloroquinoxaline-2-carboxylate Traditional Name: 3-[4-(5-bromonicotinoyl)piperazino]-6,7-dichloro-quinoxaline-2-carboxylic acid ethyl ester Formula: C21H18BrCl2N5O3 MolecularWeight: 539.20932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1N3CCN(CC3)C(=O)C4=CC(=CN=C4)Br)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1N3CCN(CC3)C(=O)C4=CC(=CN=C4)Br)Cl)Cl

InChI

InChI=1S/C21H18BrCl2N5O3/c1-2-32-21(31)18-19(27-17-9-15(24)14(23)8-16(17)26-18)28-3-5-29(6-4-28)20(30)12-7-13(22)11-25-10-12/h7-11H,2-6H2,1H3