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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H22FN3O2
Molecular Weight 415.4595
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OCID-4681

SMILES

NC1=C(NC(=O)C2=CC=C(\C=C(\C(=O)NC3CC3)C4=CC=C(F)C=C4)C=C2)C=CC=C1

InChI

InChIKey=PSMVQVNDYRGHCI-RCCKNPSSSA-N
InChI=1S/C25H22FN3O2/c26-19-11-9-17(10-12-19)21(25(31)28-20-13-14-20)15-16-5-7-18(8-6-16)24(30)29-23-4-2-1-3-22(23)27/h1-12,15,20H,13-14,27H2,(H,28,31)(H,29,30)/b21-15+

HIDE SMILES / InChI

Approval Year

Name Type Language
OCID 4681-S-01
Preferred Name English
OCID-4681
Code English
BENZENEACETAMIDE, .ALPHA.-((4-(((2-AMINOPHENYL)AMINO)CARBONYL)PHENYL)METHYLENE)-N-CYCLOPROPYL-4-FLUORO-, (.ALPHA.E)-
Systematic Name English
Code System Code Type Description
FDA UNII
LBH89JU23C
Created by admin on Tue Apr 01 21:34:10 GMT 2025 , Edited by admin on Tue Apr 01 21:34:10 GMT 2025
PRIMARY
CAS
1147868-26-5
Created by admin on Tue Apr 01 21:34:10 GMT 2025 , Edited by admin on Tue Apr 01 21:34:10 GMT 2025
PRIMARY
PUBCHEM
25242439
Created by admin on Tue Apr 01 21:34:10 GMT 2025 , Edited by admin on Tue Apr 01 21:34:10 GMT 2025
PRIMARY