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Details

Stereochemistry MIXED
Molecular Formula C24H26FN3O2
Molecular Weight 407.4805
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-[4-(4-Fluorophenyl)-4-oxobutyl]-6b,7,8,9,10,10a-hexahydro-3-methyl-1H-pyrido[3?,4?:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one

SMILES

CN1C(=O)CN2C3CCN(CCCC(=O)C4=CC=C(F)C=C4)CC3C5=CC=CC1=C25

InChI

InChIKey=ULYPMCDOUIQKSJ-UHFFFAOYSA-N
InChI=1S/C24H26FN3O2/c1-26-21-5-2-4-18-19-14-27(13-11-20(19)28(24(18)21)15-23(26)30)12-3-6-22(29)16-7-9-17(25)10-8-16/h2,4-5,7-10,19-20H,3,6,11-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C24H26FN3O2
Molecular Weight 407.4805
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:56:08 GMT 2025
Edited
by admin
on Wed Apr 02 17:56:08 GMT 2025
Record UNII
SNC29S8AKW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12-[4-(4-Fluorophenyl)-4-oxobutyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
Preferred Name English
8-[4-(4-Fluorophenyl)-4-oxobutyl]-6b,7,8,9,10,10a-hexahydro-3-methyl-1H-pyrido[3?,4?:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one
Systematic Name English
1H-Pyrido[3?,4?:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-6b,7,8,9,10,10a-hexahydro-3-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
SNC29S8AKW
Created by admin on Wed Apr 02 17:56:08 GMT 2025 , Edited by admin on Wed Apr 02 17:56:08 GMT 2025
PRIMARY
PUBCHEM
142522293
Created by admin on Wed Apr 02 17:56:08 GMT 2025 , Edited by admin on Wed Apr 02 17:56:08 GMT 2025
PRIMARY
CAS
2766013-53-8
Created by admin on Wed Apr 02 17:56:08 GMT 2025 , Edited by admin on Wed Apr 02 17:56:08 GMT 2025
PRIMARY