ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(5-bromonicotinoyl)piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C21H20BrN5O3 MolecularWeight: 470.3192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5O3/c1-2-30-21(29)18-19(25-17-6-4-3-5-16(17)24-18)26-7-9-27(10-8-26)20(28)14-11-15(22)13-23-12-14/h3-6,11-13H,2,7-10H2,1H3