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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H22ClN
Molecular Weight 275.816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYL-3-(4-CHLOROPHENYL)-1-AZABICYCLO(2.2.2)OCT-2-ENE

SMILES

CCCCC1=C(C2CCN1CC2)C3=CC=C(Cl)C=C3

InChI

InChIKey=FFHMGQOTHREMBZ-UHFFFAOYSA-N
InChI=1S/C17H22ClN/c1-2-3-4-16-17(13-5-7-15(18)8-6-13)14-9-11-19(16)12-10-14/h5-8,14H,2-4,9-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H22ClN
Molecular Weight 275.816
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 18:35:29 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:29 GMT 2023
Record UNII
7FA6XAN9CH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYL-3-(4-CHLOROPHENYL)-1-AZABICYCLO(2.2.2)OCT-2-ENE
Systematic Name English
1-AZABICYCLO(2.2.2)OCT-2-ENE, 2-BUTYL-3-(4-CHLOROPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
756473-59-3
Created by admin on Sat Dec 16 18:35:29 GMT 2023 , Edited by admin on Sat Dec 16 18:35:29 GMT 2023
PRIMARY
FDA UNII
7FA6XAN9CH
Created by admin on Sat Dec 16 18:35:29 GMT 2023 , Edited by admin on Sat Dec 16 18:35:29 GMT 2023
PRIMARY
PUBCHEM
9836383
Created by admin on Sat Dec 16 18:35:29 GMT 2023 , Edited by admin on Sat Dec 16 18:35:29 GMT 2023
PRIMARY PUBCHEM
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY