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Details

Stereochemistry RACEMIC
Molecular Formula C13H12F3N3O3
Molecular Weight 315.2479
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(7-Amino-1,2,4,5-tetrahydro-8-nitro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone

SMILES

NC1=CC2=C(C=C1[N+]([O-])=O)[C@@H]3C[C@H]2CN(C3)C(=O)C(F)(F)F

InChI

InChIKey=OSGVAKUNQZYSSU-NKWVEPMBSA-N
InChI=1S/C13H12F3N3O3/c14-13(15,16)12(20)18-4-6-1-7(5-18)9-3-11(19(21)22)10(17)2-8(6)9/h2-3,6-7H,1,4-5,17H2/t6-,7+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(7-Amino-1,2,4,5-tetrahydro-8-nitro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
Systematic Name English
Depyrazine 7-Nitro-8-aminophenyl N-Trifluoroacetyl Varenicline
Common Name English
3-(Trifluoroacetyl)-8-nitro-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepin-7-amine
Systematic Name English
Ethanone, 1-(7-amino-1,2,4,5-tetrahydro-8-nitro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
Systematic Name English
Code System Code Type Description
PUBCHEM
168429475
Created by admin on Sat Dec 16 18:27:36 GMT 2023 , Edited by admin on Sat Dec 16 18:27:36 GMT 2023
PRIMARY
FDA UNII
K2YDD3W2X8
Created by admin on Sat Dec 16 18:27:36 GMT 2023 , Edited by admin on Sat Dec 16 18:27:36 GMT 2023
PRIMARY
CAS
950781-89-2
Created by admin on Sat Dec 16 18:27:36 GMT 2023 , Edited by admin on Sat Dec 16 18:27:36 GMT 2023
PRIMARY
NIH
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