U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N2O2
Molecular Weight 322.4009
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOLVENT BLUE 36

SMILES

CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChIKey=BLFZMXOCPASACY-UHFFFAOYSA-N
InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3

HIDE SMILES / InChI

Molecular Formula C20H22N2O2
Molecular Weight 322.4009
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
NEH7L3Y1P1
Record Status Validated (UNII)
Record Version