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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20ClN3O
Molecular Weight 353.845
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ER-176

SMILES

CC[C@@H](C)N(C)C(=O)C1=NC2=C(C=CC=C2)C(=N1)C3=C(Cl)C=CC=C3

InChI

InChIKey=ASFLYNMYGAYKON-CYBMUJFWSA-N
InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H20ClN3O
Molecular Weight 353.845
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 09:44:38 UTC 2023
Edited
by admin
on Sat Dec 16 09:44:38 UTC 2023
Record UNII
1CFA2S833A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ER-176
Common Name English
N-((2R)-2-BUTANYL)-4-(2-CHLOROPHENYL)-N-METHYL-2-QUINAZOLINECARBOXAMIDE
Systematic Name English
2-QUINAZOLINECARBOXAMIDE, 4-(2-CHLOROPHENYL)-N-METHYL-N-((1R)-1-METHYLPROPYL)-
Systematic Name English
O-METHYL-(R)-N-SEC-BUTYL-4-(2-CHLOROPHENYL)-N-METHYLQUINAZOLINE-2-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
1CFA2S833A
Created by admin on Sat Dec 16 09:44:38 UTC 2023 , Edited by admin on Sat Dec 16 09:44:38 UTC 2023
PRIMARY
PUBCHEM
57521383
Created by admin on Sat Dec 16 09:44:38 UTC 2023 , Edited by admin on Sat Dec 16 09:44:38 UTC 2023
PRIMARY
CAS
1373887-29-6
Created by admin on Sat Dec 16 09:44:38 UTC 2023 , Edited by admin on Sat Dec 16 09:44:38 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED