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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20N4O.ClH
Molecular Weight 380.871
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of F-16618

SMILES

Cl.O=C(\C=C\C=C\C1=CC=CC=C1C#N)N2CCN(CC2)C3=NC=CC=C3

InChI

InChIKey=IZEICXCVAMQBTJ-IUXQSRKNSA-N
InChI=1S/C21H20N4O.ClH/c22-17-19-9-2-1-7-18(19)8-3-4-11-21(26)25-15-13-24(14-16-25)20-10-5-6-12-23-20;/h1-12H,13-16H2;1H/b8-3+,11-4+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H20N4O
Molecular Weight 344.4097
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:49 UTC 2023
Edited
by admin
on Sat Dec 16 10:01:49 UTC 2023
Record UNII
7M24TMZ0HU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
F-16618
Common Name English
BENZONITRILE, 2-((1E,3E)-5-OXO-5-(4-(2-PYRIDINYL)-1-PIPERAZINYL)-1,3-PENTADIEN-1-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
7M24TMZ0HU
Created by admin on Sat Dec 16 10:01:49 UTC 2023 , Edited by admin on Sat Dec 16 10:01:49 UTC 2023
PRIMARY
PUBCHEM
44473636
Created by admin on Sat Dec 16 10:01:49 UTC 2023 , Edited by admin on Sat Dec 16 10:01:49 UTC 2023
PRIMARY
CAS
960355-37-7
Created by admin on Sat Dec 16 10:01:49 UTC 2023 , Edited by admin on Sat Dec 16 10:01:49 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY