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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20N2O3
Molecular Weight 276.3309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PROPANONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-

SMILES

[O-][N+](=O)C1=CC(=CC=C1)C(=O)CCN2CCCCCC2

InChI

InChIKey=QNMJTXJJZVGMLU-UHFFFAOYSA-N
InChI=1S/C15H20N2O3/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20/h5-7,12H,1-4,8-11H2

HIDE SMILES / InChI

Molecular Formula C15H20N2O3
Molecular Weight 276.3309
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 Tue Apr 01 19:35:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:19 GMT 2025
Record UNII
RJU265BEY4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PROPANONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-
Systematic Name English
PHENITRONE FREE BASE
Preferred Name English
PROPIOPHENONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITRO-
Systematic Name English
3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITROPROPIOPHENONE
Systematic Name English
3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-1-PROPANONE
Systematic Name English
Code System Code Type Description
FDA UNII
RJU265BEY4
Created by admin on Tue Apr 01 19:35:19 GMT 2025 , Edited by admin on Tue Apr 01 19:35:19 GMT 2025
PRIMARY
CAS
3670-65-3
Created by admin on Tue Apr 01 19:35:19 GMT 2025 , Edited by admin on Tue Apr 01 19:35:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID20190154
Created by admin on Tue Apr 01 19:35:19 GMT 2025 , Edited by admin on Tue Apr 01 19:35:19 GMT 2025
PRIMARY
PUBCHEM
197918
Created by admin on Tue Apr 01 19:35:19 GMT 2025 , Edited by admin on Tue Apr 01 19:35:19 GMT 2025
PRIMARY