U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C40H42N8O4
Molecular Weight 698.8127
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-((3-(4-(4-(2-CARBAMOYLBENZOFURAN-5-YL)PIPERAZIN-1-YL)BUTYL)-5-CYANO-1H-INDOL-1-YL)METHYL)PIPERAZIN-1-YL)BENZOFURAN-2-CARBOXAMIDE

SMILES

NC(=O)C1=CC2=CC(=CC=C2O1)N3CCN(CCCCC4=CN(CN5CCN(CC5)C6=CC=C7OC(=CC7=C6)C(N)=O)C8=C4C=C(C=C8)C#N)CC3

InChI

InChIKey=DBDKAVGLSPIFMP-UHFFFAOYSA-N
InChI=1S/C40H42N8O4/c41-24-27-4-7-34-33(19-27)28(3-1-2-10-44-11-15-46(16-12-44)31-5-8-35-29(20-31)22-37(51-35)39(42)49)25-48(34)26-45-13-17-47(18-14-45)32-6-9-36-30(21-32)23-38(52-36)40(43)50/h4-9,19-23,25H,1-3,10-18,26H2,(H2,42,49)(H2,43,50)

HIDE SMILES / InChI

Molecular Formula C40H42N8O4
Molecular Weight 698.8127
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:56:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:52 GMT 2023
Record UNII
83BD34BSU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-((3-(4-(4-(2-CARBAMOYLBENZOFURAN-5-YL)PIPERAZIN-1-YL)BUTYL)-5-CYANO-1H-INDOL-1-YL)METHYL)PIPERAZIN-1-YL)BENZOFURAN-2-CARBOXAMIDE
Systematic Name English
2-BENZOFURANCARBOXAMIDE, 5-(4-((3-(4-(4-(2-(AMINOCARBONYL)-5-BENZOFURANYL)-1-PIPERAZINYL)BUTYL)-5-CYANO-1H-INDOL-1-YL)METHYL)-1-PIPERAZINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
83BD34BSU3
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
PRIMARY
CAS
1640353-02-1
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
PRIMARY
PUBCHEM
86345961
Created by admin on Sat Dec 16 18:56:52 GMT 2023 , Edited by admin on Sat Dec 16 18:56:52 GMT 2023
PRIMARY