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Details

Stereochemistry RACEMIC
Molecular Formula C23H26ClN3O3
Molecular Weight 427.924
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[[5-Chloro-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-2-pyridinyl]methylene]-1-(1,1-dimethylethyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one, (3Z)-

SMILES

CC(C)(C)N1C(=O)\C(=C/C2=NC=C(Cl)C=C2COC3CCCCO3)C4=CC=CN=C14

InChI

InChIKey=AOLNHOMUAOZTFE-PDGQHHTCSA-N
InChI=1S/C23H26ClN3O3/c1-23(2,3)27-21-17(7-6-9-25-21)18(22(27)28)12-19-15(11-16(24)13-26-19)14-30-20-8-4-5-10-29-20/h6-7,9,11-13,20H,4-5,8,10,14H2,1-3H3/b18-12-

HIDE SMILES / InChI

Molecular Formula C23H26ClN3O3
Molecular Weight 427.924
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:04:06 GMT 2025
Edited
by admin
on Wed Apr 02 20:04:06 GMT 2025
Record UNII
CN3KS39E26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[5-Chloro-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-2-pyridinyl]methylene]-1-(1,1-dimethylethyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one, (3Z)-
Systematic Name English
(3Z)-3-[[5-Chloro-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-2-pyridinyl]methylene]-1-(1,1-dimethylethyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one
Preferred Name English
2H-Pyrrolo[2,3-b]pyridin-2-one, 3-[[5-chloro-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-2-pyridinyl]methylene]-1-(1,1-dimethylethyl)-1,3-dihydro-, (3Z)-
Systematic Name English
Code System Code Type Description
CAS
1456804-07-1
Created by admin on Wed Apr 02 20:04:06 GMT 2025 , Edited by admin on Wed Apr 02 20:04:06 GMT 2025
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PUBCHEM
71738279
Created by admin on Wed Apr 02 20:04:06 GMT 2025 , Edited by admin on Wed Apr 02 20:04:06 GMT 2025
PRIMARY
FDA UNII
CN3KS39E26
Created by admin on Wed Apr 02 20:04:06 GMT 2025 , Edited by admin on Wed Apr 02 20:04:06 GMT 2025
PRIMARY