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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H18N2
Molecular Weight 274.3596
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LG-120753

SMILES

CC1=CC(C)(C)NC2=C1C=C(C=C2)C3=CC(=CC=C3)C#N

InChI

InChIKey=PDEIPQPDODOWPI-UHFFFAOYSA-N
InChI=1S/C19H18N2/c1-13-11-19(2,3)21-18-8-7-16(10-17(13)18)15-6-4-5-14(9-15)12-20/h4-11,21H,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H18N2
Molecular Weight 274.3596
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 Sat Dec 16 11:24:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:30 GMT 2023
Record UNII
SU983VS3WS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LG-120753
Code English
BENZONITRILE, 3-(1,2-DIHYDRO-2,2,4-TRIMETHYL-6-QUINOLINYL)-
Systematic Name English
3-(1,2-DIHYDRO-2,2,4-TRIMETHYL-6-QUINOLINYL)BENZONITRILE
Systematic Name English
Code System Code Type Description
CAS
179894-84-9
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
FDA UNII
SU983VS3WS
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80432921
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
PUBCHEM
9925534
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY