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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13ClN2
Molecular Weight 232.709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-CHLOROBUTYL)-5-CYANOINDOLE

SMILES

ClCCCCC1=CNC2=C1C=C(C=C2)C#N

InChI

InChIKey=NJJWMEJWFYRORL-UHFFFAOYSA-N
InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2

HIDE SMILES / InChI

Molecular Formula C13H13ClN2
Molecular Weight 232.709
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 18:57:12 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:12 GMT 2023
Record UNII
L6DNG55PBH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-CHLOROBUTYL)-5-CYANOINDOLE
Systematic Name English
1H-INDOLE-5-CARBONITRILE, 3-(4-CHLOROBUTYL)-
Systematic Name English
3-(4-CHLOROBUTYL)-1H-INDOLE-5-CARBONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
9881123
Created by admin on Sat Dec 16 18:57:12 GMT 2023 , Edited by admin on Sat Dec 16 18:57:12 GMT 2023
PRIMARY
CAS
143612-79-7
Created by admin on Sat Dec 16 18:57:12 GMT 2023 , Edited by admin on Sat Dec 16 18:57:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID70432273
Created by admin on Sat Dec 16 18:57:12 GMT 2023 , Edited by admin on Sat Dec 16 18:57:12 GMT 2023
PRIMARY
FDA UNII
L6DNG55PBH
Created by admin on Sat Dec 16 18:57:12 GMT 2023 , Edited by admin on Sat Dec 16 18:57:12 GMT 2023
PRIMARY