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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33ClN4O3
Molecular Weight 485.018
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[(3R)-4-[4-(3-Chloro-5-ethyl-2-methoxyphenyl)-1-piperazinyl]-3-hydroxybutyl]-1H-indole-2-carboxamide

SMILES

CCC1=CC(Cl)=C(OC)C(=C1)N2CCN(C[C@H](O)CCNC(=O)C3=CC4=C(N3)C=CC=C4)CC2

InChI

InChIKey=NRSBRNRWCATXOT-HXUWFJFHSA-N
InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H33ClN4O3
Molecular Weight 485.018
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 Wed Apr 02 21:17:20 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:20 GMT 2025
Record UNII
45L365B7XN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[(3R)-4-[4-(3-Chloro-5-ethyl-2-methoxyphenyl)-1-piperazinyl]-3-hydroxybutyl]-1H-indole-2-carboxamide
Systematic Name English
1H-Indole-2-carboxamide, N-[(3R)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)-1-piperazinyl]-3-hydroxybutyl]-
Preferred Name English
Code System Code Type Description
PUBCHEM
130431329
Created by admin on Wed Apr 02 21:17:20 GMT 2025 , Edited by admin on Wed Apr 02 21:17:20 GMT 2025
PRIMARY
FDA UNII
45L365B7XN
Created by admin on Wed Apr 02 21:17:20 GMT 2025 , Edited by admin on Wed Apr 02 21:17:20 GMT 2025
PRIMARY
CAS
2133454-49-4
Created by admin on Wed Apr 02 21:17:20 GMT 2025 , Edited by admin on Wed Apr 02 21:17:20 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR