Navacaprant

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 Search

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:46:28 UTC 2023` Edited by `admin` on `Sat Dec 16 14:46:28 UTC 2023`
Record UNII	XK5ILZ28KI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Navacaprant

Official Name

English

CYM-53093

Code

English

navacaprant [INN]

Common Name

English

1-(6-ETHYL-8-FLUORO-4-METHYL-3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)QUINOLIN-2-YL)-N-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4 AMINE

Systematic Name

English

BTRX-335140

Code

English

1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5- yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

Systematic Name

English

1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5- yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

Systematic Name

English

4-PIPERIDINAMINE, 1-(6-ETHYL-8-FLUORO-4-METHYL-3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-2-QUINOLINYL)-N-(TETRAHYDRO-2H-PYRAN-4-YL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID401104655