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Details

Stereochemistry ACHIRAL
Molecular Formula C25H27N3O3S
Molecular Weight 449.565
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2(1H)-QUINOLINONE, 7-(4-(4-(7-HYDROXYBENZO(B)THIEN-4-YL)-1-PIPERAZINYL)BUTOXY)-

SMILES

OC1=CC=C(N2CCN(CCCCOC3=CC=C4C=CC(=O)NC4=C3)CC2)C5=C1SC=C5

InChI

InChIKey=IHDRUMPAUYXQPF-UHFFFAOYSA-N
InChI=1S/C25H27N3O3S/c29-23-7-6-22(20-9-16-32-25(20)23)28-13-11-27(12-14-28)10-1-2-15-31-19-5-3-18-4-8-24(30)26-21(18)17-19/h3-9,16-17,29H,1-2,10-15H2,(H,26,30)

HIDE SMILES / InChI

Molecular Formula C25H27N3O3S
Molecular Weight 449.565
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
P4529AK5NV
Record Status Validated (UNII)
Record Version