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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25F2N3O
Molecular Weight 385.4502
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-423579

SMILES

CN(C)[C@@H]1CCN(CCCOC2=C(F)C=C(C=C2F)C3=CC=C(C=C3)C#N)C1

InChI

InChIKey=DJXFZKXYKKBTDR-LJQANCHMSA-N
InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H25F2N3O
Molecular Weight 385.4502
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:59:47 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:47 GMT 2023
Record UNII
Q2CW3V5WGF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-423579
Code English
4'-(3-((3R)-3-(DIMETHYLAMINO)-1-PYRROLIDINYL)PROPOXY)-3',5'-DIFLUORO(1,1'-BIPHENYL)-4-CARBONITRILE
Systematic Name English
A423579
Code English
A-423,579
Code English
[1,1′-Biphenyl]-4-carbonitrile, 4′-[3-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]propoxy]-3′,5′-difluoro-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
A-423579
Created by admin on Sat Dec 16 16:59:47 GMT 2023 , Edited by admin on Sat Dec 16 16:59:47 GMT 2023
PRIMARY
CAS
461045-17-0
Created by admin on Sat Dec 16 16:59:47 GMT 2023 , Edited by admin on Sat Dec 16 16:59:47 GMT 2023
PRIMARY
FDA UNII
Q2CW3V5WGF
Created by admin on Sat Dec 16 16:59:47 GMT 2023 , Edited by admin on Sat Dec 16 16:59:47 GMT 2023
PRIMARY
PUBCHEM
22994515
Created by admin on Sat Dec 16 16:59:47 GMT 2023 , Edited by admin on Sat Dec 16 16:59:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID90629426
Created by admin on Sat Dec 16 16:59:47 GMT 2023 , Edited by admin on Sat Dec 16 16:59:47 GMT 2023
PRIMARY
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