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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25N3O2
Molecular Weight 375.4635
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

SMILES

O=C1NC2=CC=CC(N3CCN(CCCC4=CCC5=CC=CC=C45)CC3)=C2O1

InChI

InChIKey=NBEGULJEDOLHOO-UHFFFAOYSA-N
InChI=1S/C23H25N3O2/c27-23-24-20-8-3-9-21(22(20)28-23)26-15-13-25(14-16-26)12-4-6-18-11-10-17-5-1-2-7-19(17)18/h1-3,5,7-9,11H,4,6,10,12-16H2,(H,24,27)

HIDE SMILES / InChI

Molecular Formula C23H25N3O2
Molecular Weight 375.4635
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 20:06:01 GMT 2023
Edited
by admin
on Sat Dec 16 20:06:01 GMT 2023
Record UNII
S4TE5JJZ7G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
Systematic Name English
2(3H)-Benzoxazolone, 7-[4-[3-(1H-inden-3-yl)propyl]-1-piperazinyl]-
Systematic Name English
7-[4-[3-(1H-Inden-3-yl)propyl]-1-piperazinyl]-2(3H)-benzoxazolone
Systematic Name English
Code System Code Type Description
FDA UNII
S4TE5JJZ7G
Created by admin on Sat Dec 16 20:06:01 GMT 2023 , Edited by admin on Sat Dec 16 20:06:01 GMT 2023
PRIMARY
CAS
889883-05-0
Created by admin on Sat Dec 16 20:06:01 GMT 2023 , Edited by admin on Sat Dec 16 20:06:01 GMT 2023
PRIMARY
PUBCHEM
44540845
Created by admin on Sat Dec 16 20:06:01 GMT 2023 , Edited by admin on Sat Dec 16 20:06:01 GMT 2023
PRIMARY