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Details

Stereochemistry ACHIRAL
Molecular Formula C24H18N2O3
Molecular Weight 382.4113
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYR1

SMILES

CC1=C2C=CNC(=O)C2=C(C)C3=C1NC4=C3C=C(OC(=O)C5=CC=CC=C5)C=C4

InChI

InChIKey=BPGBAEXPBQHBSV-UHFFFAOYSA-N
InChI=1S/C24H18N2O3/c1-13-17-10-11-25-23(27)21(17)14(2)20-18-12-16(8-9-19(18)26-22(13)20)29-24(28)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,25,27)

HIDE SMILES / InChI

Molecular Formula C24H18N2O3
Molecular Weight 382.4113
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
YL48YW74QQ
Record Status Validated (UNII)
Record Version