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Details

Stereochemistry RACEMIC
Molecular Formula C19H21N3O
Molecular Weight 307.3895
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNC-77-0020

SMILES

CC1=CC(C(CC2=NCCN2)C3=NC=CC=C3)=C4OCCC4=C1

InChI

InChIKey=WHFINRGIUDAFLQ-UHFFFAOYSA-N
InChI=1S/C19H21N3O/c1-13-10-14-5-9-23-19(14)16(11-13)15(12-18-21-7-8-22-18)17-4-2-3-6-20-17/h2-4,6,10-11,15H,5,7-9,12H2,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C19H21N3O
Molecular Weight 307.3895
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

Substance Class Chemical
Record UNII
SSB9YWJ9UK
Record Status Validated (UNII)
Record Version