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

Systemtic Name: (phenylmethyl) 8-methyl-5-oxidanylidene-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate Openeye Name: benzyl 8-methyl-5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate CAS Name: 8-methyl-5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-methyl-5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylate Traditional Name: 5-keto-8-methyl-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaline-3-carboxylic acid benzyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N3CCN(CC3C(=O)N2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N3CCN(CC3C(=O)N2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c1-14-7-8-17-16(11-14)21-19(24)18-12-22(9-10-23(17)18)20(25)26-13-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,21,24)