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

Details

Stereochemistry RACEMIC
Molecular Formula C24H20N4O2
Molecular Weight 396.4412
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CI-1018

SMILES

CC1=CC2=C3N(CCC3=C1)C(=O)C(NC(=O)C4=CC=NC=C4)N=C2C5=CC=CC=C5

InChI

InChIKey=KYFWUBJMTHVBIF-UHFFFAOYSA-N
InChI=1S/C24H20N4O2/c1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29)

HIDE SMILES / InChI

Molecular Formula C24H20N4O2
Molecular Weight 396.4412
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:35 GMT 2023
Edited
by admin
on Fri Dec 15 15:32:35 GMT 2023
Record UNII
05127JZ9KQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-1018
Common Name English
CI-1118
Code English
4-PYRIDINECARBOXAMIDE, N-(3,4,6,7-TETRAHYDRO-9-METHYL-4-OXO-1-PHENYLPYRROLO(3,2,1-JK)(1,4)BENZODIAZEPIN-3-YL)-
Systematic Name English
Code System Code Type Description
CAS
245329-99-1
Created by admin on Fri Dec 15 15:32:35 GMT 2023 , Edited by admin on Fri Dec 15 15:32:35 GMT 2023
PRIMARY
PUBCHEM
11326928
Created by admin on Fri Dec 15 15:32:35 GMT 2023 , Edited by admin on Fri Dec 15 15:32:35 GMT 2023
PRIMARY
FDA UNII
05127JZ9KQ
Created by admin on Fri Dec 15 15:32:35 GMT 2023 , Edited by admin on Fri Dec 15 15:32:35 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY