Analyte Name

4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(p-tolyl)butan-1-one

Molecular Formula

C25H31N3O

Molecular Weight

389.54

Accurate Mass

389.25

SMILES

CN1CCN2C3=C1C=CC=C3[C@@]4([H])[C@]2([H])CCN(CCCC(C5=CC=C(C)C=C5)=O)C4

InChI

InChI=1S/C25H31N3O/c1-18-8-10-19(11-9-18)24(29)7-4-13-27-14-12-22-21(17-27)20-5-3-6-23-25(20)28(22)16-15-26(23)2/h3,5-6,8-11,21-22H,4,7,12-17H2,1-2H3/t21-,22-/m0/s1

IUPAC

4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(p-tolyl)butan-1-one

Country of Origin

CANADA

Product Format

Neat