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Details

Stereochemistry MIXED
Molecular Formula C13H13F3N2O
Molecular Weight 270.2503
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(7-Amino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone

SMILES

NC1=CC2=C(C=C1)C3CC2CN(C3)C(=O)C(F)(F)F

InChI

InChIKey=LBIBXCMFBMASMP-UHFFFAOYSA-N
InChI=1S/C13H13F3N2O/c14-13(15,16)12(19)18-5-7-3-8(6-18)11-4-9(17)1-2-10(7)11/h1-2,4,7-8H,3,5-6,17H2

HIDE SMILES / InChI

Molecular Formula C13H13F3N2O
Molecular Weight 270.2503
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:46:21 GMT 2025
Edited
by admin
on Wed Apr 02 18:46:21 GMT 2025
Record UNII
P9QK35476X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(7-Amino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
Systematic Name English
1,5-Methano-1H-3-benzazepin-7-amine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)-
Preferred Name English
3-(Trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano3-benzazepin-7-amine
Systematic Name English
Ethanone, 1-(7-amino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
Systematic Name English
Code System Code Type Description
FDA UNII
P9QK35476X
Created by admin on Wed Apr 02 18:46:21 GMT 2025 , Edited by admin on Wed Apr 02 18:46:21 GMT 2025
PRIMARY
CAS
230615-56-2
Created by admin on Wed Apr 02 18:46:21 GMT 2025 , Edited by admin on Wed Apr 02 18:46:21 GMT 2025
PRIMARY
PUBCHEM
21864716
Created by admin on Wed Apr 02 18:46:21 GMT 2025 , Edited by admin on Wed Apr 02 18:46:21 GMT 2025
PRIMARY