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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20ClN5O.ClH
Molecular Weight 442.341
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-778123

SMILES

Cl.ClC1=CC=CC(=C1)N2CCN(CC3=CN=CN3CC4=CC=C(C=C4)C#N)CC2=O

InChI

InChIKey=YNBSQYGTJLIPJS-UHFFFAOYSA-N
InChI=1S/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
L-778123
Common Name English
L-778,123
Code English
BENZONITRILE, 4-((5-((4-(3-CHLOROPHENYL)-3-OXO-1-PIPERAZINYL)METHYL)-1H-IMIDAZOL-1-YL)METHYL)-, MONOHYDROCHLORIDE
Systematic Name English
BENZONITRILE, 4-((5-((4-(3-CHLOROPHENYL)-3-OXO-1-PIPERAZINYL)METHYL)-1H-IMIDAZOL-1-YL)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2020
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID60180034
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY
CAS
253863-00-2
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY
CHEBI
177371
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY
NCI_THESAURUS
C1840
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY
PUBCHEM
216453
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY
DRUG BANK
DB07227
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY
FDA UNII
2A2059P49U
Created by admin on Fri Dec 15 15:49:05 UTC 2023 , Edited by admin on Fri Dec 15 15:49:05 UTC 2023
PRIMARY