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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N2
Molecular Weight 248.3223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[[(4-Propylphenyl)methylene]amino]benzonitrile

SMILES

CCCC1=CC=C(\C=N\C2=CC=C(C=C2)C#N)C=C1

InChI

InChIKey=WNPUCDQWHSMXIN-CPNJWEJPSA-N
InChI=1S/C17H16N2/c1-2-3-14-4-6-16(7-5-14)13-19-17-10-8-15(12-18)9-11-17/h4-11,13H,2-3H2,1H3/b19-13+

HIDE SMILES / InChI

Molecular Formula C17H16N2
Molecular Weight 248.3223
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:05:15 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:15 GMT 2025
Record UNII
ZN7F4AG5QX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]-
Preferred Name English
4-[[(4-Propylphenyl)methylene]amino]benzonitrile
Systematic Name English
Code System Code Type Description
CAS
38690-79-8
Created by admin on Tue Apr 01 19:05:15 GMT 2025 , Edited by admin on Tue Apr 01 19:05:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID7068132
Created by admin on Tue Apr 01 19:05:15 GMT 2025 , Edited by admin on Tue Apr 01 19:05:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
254-087-7
Created by admin on Tue Apr 01 19:05:15 GMT 2025 , Edited by admin on Tue Apr 01 19:05:15 GMT 2025
PRIMARY
FDA UNII
ZN7F4AG5QX
Created by admin on Tue Apr 01 19:05:15 GMT 2025 , Edited by admin on Tue Apr 01 19:05:15 GMT 2025
PRIMARY