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Details

Stereochemistry ACHIRAL
Molecular Formula C32H28N2O4
Molecular Weight 504.5757
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[8-(1,3-dioxobenzo[de]isoquinolin-2-yl)octyl]benzo[de]isoquinoline-1,3-dione

SMILES

O=C1N(CCCCCCCCN2C(=O)C3=CC=CC4=CC=CC(C2=O)=C34)C(=O)C5=C6C(C=CC=C16)=CC=C5

InChI

InChIKey=MLJPJPURFNYGQC-UHFFFAOYSA-N
InChI=1S/C32H28N2O4/c35-29-23-15-7-11-21-12-8-16-24(27(21)23)30(36)33(29)19-5-3-1-2-4-6-20-34-31(37)25-17-9-13-22-14-10-18-26(28(22)25)32(34)38/h7-18H,1-6,19-20H2

HIDE SMILES / InChI

Molecular Formula C32H28N2O4
Molecular Weight 504.5757
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:31:08 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:08 GMT 2025
Record UNII
4Z7PHL2HDX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[8-(1,3-dioxobenzo[de]isoquinolin-2-yl)octyl]benzo[de]isoquinoline-1,3-dione
Systematic Name English
NSC-201979
Preferred Name English
1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 2,2'-(1,8-OCTANEDIYL)BIS-
Systematic Name English
2,2?-(1,8-Octanediyl)bis[1H-benz[de]isoquinoline-1,3(2H)-dione]
Systematic Name English
3-(8-{2,4-dioxo-3-azatricyclo[7.3.1.0{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}octyl)-3-azatricyclo[7.3.1.0{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Systematic Name English
Code System Code Type Description
PUBCHEM
305224
Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025
PRIMARY
NSC
201979
Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025
PRIMARY
CAS
88794-65-4
Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID30237322
Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025
PRIMARY
FDA UNII
4Z7PHL2HDX
Created by admin on Tue Apr 01 19:31:08 GMT 2025 , Edited by admin on Tue Apr 01 19:31:08 GMT 2025
PRIMARY