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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29N3O3
Molecular Weight 431.5268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-649,915

SMILES

CC1=NC2=C(C=C1)C(OCCN3CCC(CC4=CC=C5OCC(=O)NC5=C4)CC3)=CC=C2

InChI

InChIKey=PJSUYRBCBFPCQW-UHFFFAOYSA-N
InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)

HIDE SMILES / InChI

Molecular Formula C26H29N3O3
Molecular Weight 431.5268
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
HD3UV2MFJ8
Record Status Validated (UNII)
Record Version