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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H32FN5O2
Molecular Weight 453.5523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Navacaprant

SMILES

CCC1=CC(F)=C2N=C(N3CCC(CC3)NC4CCOCC4)C(C5=NC(C)=NO5)=C(C)C2=C1

InChI

InChIKey=CQOJHAJWCDJEAT-UHFFFAOYSA-N
InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C25H32FN5O2
Molecular Weight 453.5523
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
XK5ILZ28KI
Record Status Validated (UNII)
Record Version