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Details

Stereochemistry MIXED
Molecular Formula C19H22ClN5O3
Molecular Weight 403.863
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXIRENO(C)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE, 2-(3-(4-(3-CHLORO-4-HYDROXYPHENYL)-1-PIPERAZINYL)PROPYL)-6A,7A-DIHYDRO-

SMILES

OC1=C(Cl)C=C(C=C1)N2CCN(CCCN3N=C4C5OC5C=CN4C3=O)CC2

InChI

InChIKey=NVJDABNWDLDLFT-UHFFFAOYSA-N
InChI=1S/C19H22ClN5O3/c20-14-12-13(2-3-15(14)26)23-10-8-22(9-11-23)5-1-6-25-19(27)24-7-4-16-17(28-16)18(24)21-25/h2-4,7,12,16-17,26H,1,5-6,8-11H2

HIDE SMILES / InChI

Molecular Formula C19H22ClN5O3
Molecular Weight 403.863
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:59:07 GMT 2023
Edited
by admin
on Sat Dec 16 13:59:07 GMT 2023
Record UNII
R5K2FR3NR5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXIRENO(C)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE, 2-(3-(4-(3-CHLORO-4-HYDROXYPHENYL)-1-PIPERAZINYL)PROPYL)-6A,7A-DIHYDRO-
Systematic Name English
Code System Code Type Description
PUBCHEM
156596908
Created by admin on Sat Dec 16 13:59:07 GMT 2023 , Edited by admin on Sat Dec 16 13:59:07 GMT 2023
PRIMARY
FDA UNII
R5K2FR3NR5
Created by admin on Sat Dec 16 13:59:07 GMT 2023 , Edited by admin on Sat Dec 16 13:59:07 GMT 2023
PRIMARY
Related Record Type Details
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