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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H29FN2O2
Molecular Weight 384.487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADAMANTAN-1-YL 1-(5-FLUOROPENTYL)-1H-INDAZOLE-3-CARBOXYLATE

SMILES

FCCCCCN1N=C(C(=O)OC23CC4CC(CC(C4)C2)C3)C5=CC=CC=C15

InChI

InChIKey=FOBFXVSQNAVUMG-UHFFFAOYSA-N
InChI=1S/C23H29FN2O2/c24-8-4-1-5-9-26-20-7-3-2-6-19(20)21(25-26)22(27)28-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2

HIDE SMILES / InChI

Molecular Formula C23H29FN2O2
Molecular Weight 384.487
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 18:16:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:16:19 GMT 2023
Record UNII
2S7HG56F8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADAMANTAN-1-YL 1-(5-FLUOROPENTYL)-1H-INDAZOLE-3-CARBOXYLATE
Systematic Name English
TRICYCLO(3.3.1.13,7)DEC-1-YL 1-(5-FLUOROPENTYL)-1H-INDAZOLE-3-CARBOXYLATE
Systematic Name English
1H-INDAZOLE-3-CARBOXYLIC ACID, 1-(5-FLUOROPENTYL)-, TRICYCLO(3.3.1.13,7)DEC-1-YL ESTER
Systematic Name English
Code System Code Type Description
CAS
2365471-88-9
Created by admin on Sat Dec 16 18:16:19 GMT 2023 , Edited by admin on Sat Dec 16 18:16:19 GMT 2023
PRIMARY
FDA UNII
2S7HG56F8W
Created by admin on Sat Dec 16 18:16:19 GMT 2023 , Edited by admin on Sat Dec 16 18:16:19 GMT 2023
PRIMARY
PUBCHEM
129522087
Created by admin on Sat Dec 16 18:16:19 GMT 2023 , Edited by admin on Sat Dec 16 18:16:19 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY