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

Systemtic Name: ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate CAS Name: 3-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]-6,7-dimethyl-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate Traditional Name: 3-[4-(5-bromonicotinoyl)piperazino]-6,7-dimethyl-quinoxaline-2-carboxylic acid ethyl ester Formula: C23H24BrN5O3 MolecularWeight: 498.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1N3CCN(CC3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1N3CCN(CC3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C23H24BrN5O3/c1-4-32-23(31)20-21(27-19-10-15(3)14(2)9-18(19)26-20)28-5-7-29(8-6-28)22(30)16-11-17(24)13-25-12-16/h9-13H,4-8H2,1-3H3