Analyte Name

(6S,12aS)-6-(1,3-Benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

CAS Number

629652-72-8

Molecular Formula

C22 H19 N3 O4

Molecular Weight

389.40

Accurate Mass

389.1376

SMILES

CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c5ccc6OCOc6c5)C1=O

InChI

InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m0/s1

IUPAC

(2S,8S)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Country of Origin

CANADA

Tariff Code

29349990