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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H15FN4O2
Molecular Weight 350.3464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3Z)-5-FLUORO-1,3-DIHYDRO-3-((4-(1H-IMIDAZOL-1-YLCARBONYL)-3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-2H-INDOL-2-ONE

SMILES

CC1=C(C(=O)N2C=CN=C2)C(C)=C(N1)\C=C3/C(=O)NC4=CC=C(F)C=C34

InChI

InChIKey=NFYNYZTURQGSET-ZSOIEALJSA-N
InChI=1S/C19H15FN4O2/c1-10-16(22-11(2)17(10)19(26)24-6-5-21-9-24)8-14-13-7-12(20)3-4-15(13)23-18(14)25/h3-9,22H,1-2H3,(H,23,25)/b14-8-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(3Z)-5-FLUORO-1,3-DIHYDRO-3-((4-(1H-IMIDAZOL-1-YLCARBONYL)-3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-2H-INDOL-2-ONE
Systematic Name English
2H-INDOL-2-ONE, 5-FLUORO-1,3-DIHYDRO-3-((4-(1H-IMIDAZOL-1-YLCARBONYL)-3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-, (3Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
X8RE3N8MB5
Created by admin on Sat Dec 16 18:27:53 GMT 2023 , Edited by admin on Sat Dec 16 18:27:53 GMT 2023
PRIMARY
CAS
1189099-53-3
Created by admin on Sat Dec 16 18:27:53 GMT 2023 , Edited by admin on Sat Dec 16 18:27:53 GMT 2023
PRIMARY
PUBCHEM
44250479
Created by admin on Sat Dec 16 18:27:53 GMT 2023 , Edited by admin on Sat Dec 16 18:27:53 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966