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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N2O3
Molecular Weight 312.363
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TJN-598

SMILES

COC1=C(OC)C=C(CN(C)C(=O)\C=C\C2=CC=CN=C2)C=C1

InChI

InChIKey=HOIFFGYKGILBPW-VQHVLOKHSA-N
InChI=1S/C18H20N2O3/c1-20(18(21)9-7-14-5-4-10-19-12-14)13-15-6-8-16(22-2)17(11-15)23-3/h4-12H,13H2,1-3H3/b9-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
TJN-598
Common Name English
2-PROPENAMIDE, N-((3,4-DIMETHOXYPHENYL)METHYL)-N-METHYL-3-(3-PYRIDINYL)-, (2E)-
Systematic Name English
(E)-N-((3,4-DIMETHOXYPHENYL)METHYL)-N-METHYL-3-(3-PYRIDYL)PROP-2-ENAMIDE
Systematic Name English
Code System Code Type Description
CAS
785046-87-9
Created by admin on Sat Dec 16 11:31:13 GMT 2023 , Edited by admin on Sat Dec 16 11:31:13 GMT 2023
PRIMARY
FDA UNII
43KJV42JGA
Created by admin on Sat Dec 16 11:31:13 GMT 2023 , Edited by admin on Sat Dec 16 11:31:13 GMT 2023
PRIMARY
PUBCHEM
20701430
Created by admin on Sat Dec 16 11:31:13 GMT 2023 , Edited by admin on Sat Dec 16 11:31:13 GMT 2023
PRIMARY