Nombre del analito

alpha-Cyano-3-(hexahydro-1H-azepin-1-yl)-N-[1-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-2-quinoxalineacetamide

Número CAS

1425051-22-4

Fórmula molecular

C30H36N6O3

Peso molecular

528.66

Masa exacta

528.28

SMILES

N#CC(C1=NC2=C(N=C1N3CCCCCC3)C=CC=C2)C(NC(CN4CCOCC4)C5=CC=C(C=C5)OC)=O

InChI

InChI=1S/C30H36N6O3/c1-38-23-12-10-22(11-13-23)27(21-35-16-18-39-19-17-35)34-30(37)24(20-31)28-29(36-14-6-2-3-7-15-36)33-26-9-5-4-8-25(26)32-28/h4-5,8-13,24,27H,2-3,6-7,14-19,21H2,1H3,(H,34,37)

IUPAC

2-(3-(Azepan-1-yl)quinoxalin-2-yl)-2-cyano-N-(1-(4-methoxyphenyl)-2-morpholinoethyl)acetamide

País de origen

CANADA

Formato del producto

Neat