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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N2O
Molecular Weight 334.4546
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-ADAMANTYL)-7,8-DIHYDRO-6H-(1,4)DIAZEPINO(3,2,1-IJ)QUINOLIN-2(1H)-ONE

SMILES

O=C1NC2=CC=CC3=C2N(CCC3)C(=C1)C45CC6CC(CC(C6)C4)C5

InChI

InChIKey=AKZCKBNHPWGWHJ-UHFFFAOYSA-N
InChI=1S/C22H26N2O/c25-20-10-19(22-11-14-7-15(12-22)9-16(8-14)13-22)24-6-2-4-17-3-1-5-18(23-20)21(17)24/h1,3,5,10,14-16H,2,4,6-9,11-13H2,(H,23,25)

HIDE SMILES / InChI

Molecular Formula C22H26N2O
Molecular Weight 334.4546
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 20:12:52 GMT 2025
Edited
by admin
on Tue Apr 01 20:12:52 GMT 2025
Record UNII
GF4D80904X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-204859
Preferred Name English
4-(1-ADAMANTYL)-7,8-DIHYDRO-6H-(1,4)DIAZEPINO(3,2,1-IJ)QUINOLIN-2(1H)-ONE
Systematic Name English
6H-PYRIDO(1,2,3-EF)-1,5-BENZODIAZEPIN-2(1H)-ONE, 7,8-DIHYDRO-4-TRICYCLO(3.3.1.13,7)DEC-1-YL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20202327
Created by admin on Tue Apr 01 20:12:52 GMT 2025 , Edited by admin on Tue Apr 01 20:12:52 GMT 2025
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PUBCHEM
426966
Created by admin on Tue Apr 01 20:12:52 GMT 2025 , Edited by admin on Tue Apr 01 20:12:52 GMT 2025
PRIMARY
FDA UNII
GF4D80904X
Created by admin on Tue Apr 01 20:12:52 GMT 2025 , Edited by admin on Tue Apr 01 20:12:52 GMT 2025
PRIMARY
CAS
54012-89-4
Created by admin on Tue Apr 01 20:12:52 GMT 2025 , Edited by admin on Tue Apr 01 20:12:52 GMT 2025
PRIMARY
NSC
204859
Created by admin on Tue Apr 01 20:12:52 GMT 2025 , Edited by admin on Tue Apr 01 20:12:52 GMT 2025
PRIMARY