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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H15N3O2
Molecular Weight 305.3306
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LIBVATREP

SMILES

CC(C)C1=NC2=C(C=CC(O)=C2)C(=O)N1C3=CC=C(C=C3)C#N

InChI

InChIKey=JFPXRFIBKKSHGY-UHFFFAOYSA-N
InChI=1S/C18H15N3O2/c1-11(2)17-20-16-9-14(22)7-8-15(16)18(23)21(17)13-5-3-12(10-19)4-6-13/h3-9,11,22H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
LIBVATREP
INN  
Official Name English
libvatrep [INN]
Common Name English
4-(7-HYDROXY-4-OXO-2-(PROPAN-2-YL)QUINAZOLIN-3(4H)-YL)BENZONITRILE
Systematic Name English
BENZONITRILE, 4-(7-HYDROXY-2-(1-METHYLETHYL)-4-OXO-3(4H)-QUINAZOLINYL)-
Systematic Name English
Code System Code Type Description
CAS
871814-52-7
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY
FDA UNII
6W8B801TZM
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY
NCI_THESAURUS
C179099
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY
PUBCHEM
25138363
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL3544953
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY
SMS_ID
300000021951
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY
INN
11530
Created by admin on Sat Dec 16 01:45:46 UTC 2023 , Edited by admin on Sat Dec 16 01:45:46 UTC 2023
PRIMARY INN