ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(5-bromanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-bromopyridine-3-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(5-bromonicotinoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H22BrN5O3/c1-2-31-22(30)19-20(26-18-7-4-3-6-17(18)25-19)27-8-5-9-28(11-10-27)21(29)15-12-16(23)14-24-13-15/h3-4,6-7,12-14H,2,5,8-11H2,1H3