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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N5O4
Molecular Weight 401.3749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNRI-299

SMILES

O=C(NCC1=CC=CC=C1)C2=CC(=O)CN3N2C(=O)N(C3=O)C4=CC=CC(=C4)C#N

InChI

InChIKey=UPQJVNPKWQFAKQ-UHFFFAOYSA-N
InChI=1S/C21H15N5O4/c22-11-15-7-4-8-16(9-15)25-20(29)24-13-17(27)10-18(26(24)21(25)30)19(28)23-12-14-5-2-1-3-6-14/h1-10H,12-13H2,(H,23,28)

HIDE SMILES / InChI

Molecular Formula C21H15N5O4
Molecular Weight 401.3749
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
2WW6I6D1Z1
Record Status Validated (UNII)
Record Version