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Details

Stereochemistry RACEMIC
Molecular Formula C23H25N3O2
Molecular Weight 375.4635
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMD-87322

SMILES

N#CC1=CC2=C(NC=C2CCCCNCC3CCOC4=CC=CC=C4O3)C=C1

InChI

InChIKey=WYPCPXYJUOHDAF-UHFFFAOYSA-N
InChI=1S/C23H25N3O2/c24-14-17-8-9-21-20(13-17)18(15-26-21)5-3-4-11-25-16-19-10-12-27-22-6-1-2-7-23(22)28-19/h1-2,6-9,13,15,19,25-26H,3-5,10-12,16H2

HIDE SMILES / InChI

Molecular Formula C23H25N3O2
Molecular Weight 375.4635
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:46 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:46 GMT 2023
Record UNII
RK149NK7FI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMD-87322
Common Name English
1H-INDOLE-5-CARBONITRILE, 3-(4-(((3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-2-YL)METHYL)AMINO)BUTYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
RK149NK7FI
Created by admin on Sat Dec 16 08:25:46 GMT 2023 , Edited by admin on Sat Dec 16 08:25:46 GMT 2023
PRIMARY
CAS
722496-55-1
Created by admin on Sat Dec 16 08:25:46 GMT 2023 , Edited by admin on Sat Dec 16 08:25:46 GMT 2023
PRIMARY
PUBCHEM
58678814
Created by admin on Sat Dec 16 08:25:46 GMT 2023 , Edited by admin on Sat Dec 16 08:25:46 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY