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Details

Stereochemistry ACHIRAL
Molecular Formula C24H26N4O3
Molecular Weight 418.4882
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NRC-2694

SMILES

COC1=CC2=NC=NC(NC3=CC=CC(=C3)C#C)=C2C=C1OCCCN4CCOCC4

InChI

InChIKey=WBKHQQZRHCECKK-UHFFFAOYSA-N
InChI=1S/C24H26N4O3/c1-3-18-6-4-7-19(14-18)27-24-20-15-23(22(29-2)16-21(20)25-17-26-24)31-11-5-8-28-9-12-30-13-10-28/h1,4,6-7,14-17H,5,8-13H2,2H3,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C24H26N4O3
Molecular Weight 418.4882
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
O898S9836V
Record Status Validated (UNII)
Record Version