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Details

Stereochemistry MIXED
Molecular Formula C13H14F3N3O
Molecular Weight 285.265
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(7,8-Diamino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone

SMILES

NC1=C(N)C=C2C3CC(CN(C3)C(=O)C(F)(F)F)C2=C1

InChI

InChIKey=LWZYCQINJXEWRC-UHFFFAOYSA-N
InChI=1S/C13H14F3N3O/c14-13(15,16)12(20)19-4-6-1-7(5-19)9-3-11(18)10(17)2-8(6)9/h2-3,6-7H,1,4-5,17-18H2

HIDE SMILES / InChI

Molecular Formula C13H14F3N3O
Molecular Weight 285.265
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 Sat Dec 16 19:15:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:13 GMT 2023
Record UNII
3543LJC5UU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(7,8-Diamino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
Systematic Name English
1-(7,8-diamino-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one
Common Name English
1-(7,8-Diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
Systematic Name English
Ethanone, 1-(7,8-diamino-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
3543LJC5UU
Created by admin on Sat Dec 16 19:15:13 GMT 2023 , Edited by admin on Sat Dec 16 19:15:13 GMT 2023
PRIMARY
PUBCHEM
11666368
Created by admin on Sat Dec 16 19:15:13 GMT 2023 , Edited by admin on Sat Dec 16 19:15:13 GMT 2023
PRIMARY
CAS
230615-69-7
Created by admin on Sat Dec 16 19:15:13 GMT 2023 , Edited by admin on Sat Dec 16 19:15:13 GMT 2023
PRIMARY