U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO
Molecular Weight 145.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCARBOSTYRIL

SMILES

O=C1NC=CC2=C1C=CC=C2

InChI

InChIKey=VDBNYAPERZTOOF-UHFFFAOYSA-N
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H7NO
Molecular Weight 145.158
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 18:51:23 GMT 2025
Edited
by admin
on Tue Apr 01 18:51:23 GMT 2025
Record UNII
95EG3HGG1P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCARBOSTYRIL
Common Name English
NSC-27273
Preferred Name English
2H-ISOQUINOLIN-1-ONE
Systematic Name English
1-OXO-1,2-DIHYDROISOQUINOLINE
Systematic Name English
1-HYDROXYISOQUINOLINE
Systematic Name English
2(1H)-ISOQUINOLINONE
Systematic Name English
1-ISOQUINOLINOL
Systematic Name English
1(2H)-ISOQUINOLINONE
Systematic Name English
1(2H)-ISOQUINOLONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10197677
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY
CHEBI
18350
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY
NSC
27273
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY
FDA UNII
95EG3HGG1P
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY
PUBCHEM
10284
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-732-1
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY
CAS
491-30-5
Created by admin on Tue Apr 01 18:51:23 GMT 2025 , Edited by admin on Tue Apr 01 18:51:23 GMT 2025
PRIMARY