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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H16FN3O2
Molecular Weight 337.3484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(8-FLUORO-1-OXO-2,3,4,6-TETRAHYDRO-1H-AZEPINO(5,4,3-CD)INDOL-5-YL)BENZYL)FORMAMIDE

SMILES

c1cc(ccc1CN=CO)-c2c3CCNC(=O)c4cc(cc(c34)[nH]2)F

InChI

InChIKey=YMVVBPRJZOPIAK-UHFFFAOYSA-N
InChI=1S/C19H16FN3O2/c20-13-7-15-17-14(5-6-22-19(15)25)18(23-16(17)8-13)12-3-1-11(2-4-12)9-21-10-24/h1-4,7-8,10,23H,5-6,9H2,(H,21,24)(H,22,25)

HIDE SMILES / InChI

Molecular Formula C19H16FN3O2
Molecular Weight 337.3484
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 Fri Jun 25 20:32:06 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:06 UTC 2021
Record UNII
HCF2D2KJ6Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-(8-FLUORO-1-OXO-2,3,4,6-TETRAHYDRO-1H-AZEPINO(5,4,3-CD)INDOL-5-YL)BENZYL)FORMAMIDE
Systematic Name English
RUCAPARIB METABOLITE M337D
Common Name English
Code System Code Type Description
FDA UNII
HCF2D2KJ6Y
Created by admin on Fri Jun 25 20:32:06 UTC 2021 , Edited by admin on Fri Jun 25 20:32:06 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE