(phenylmethyl) 8-bromanyl-5-oxidanylidene-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 8-bromanyl-5-oxidanylidene-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate Openeye Name: benzyl 8-bromo-5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate CAS Name: 8-bromo-5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-bromo-5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate Traditional Name: 8-bromo-5-keto-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)OCC3=CC=CC=C3)C(=O)NC4=C2C=CC(=C4)Br

Isomeric SMILES

C1CN2C(CN1C(=O)OCC3=CC=CC=C3)C(=O)NC4=C2C=CC(=C4)Br

InChI

InChI=1S/C19H18BrN3O3/c20-14-6-7-16-15(10-14)21-18(24)17-11-22(8-9-23(16)17)19(25)26-12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,21,24)