A-372159

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27F3N2O2
Molecular Weight	432.4786
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCNC[C@@]1([H])C3=C4N2CCCOC4=CC(=C3)C5=C(C=C(OC(C)C)C=C5)C(F)(F)F

InChI

InChIKey=LADKOBQJOCFCQU-FPOVZHCZSA-N

InChI=1S/C24H27F3N2O2/c1-14(2)31-16-4-5-17(20(12-16)24(25,26)27)15-10-18-19-13-28-7-6-21(19)29-8-3-9-30-22(11-15)23(18)29/h4-5,10-12,14,19,21,28H,3,6-9,13H2,1-2H3/t19-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H27F3N2O2
Molecular Weight	432.4786
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:29:26 GMT 2023` Edited by `admin` on `Sat Dec 16 18:29:26 GMT 2023`
Record UNII	NK36K7QB8G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-372159

Code

English

5H-Pyrido[3′,4′:4,5]pyrrolo[1,2,3-ef][1,5]benzoxazepine, 6,7,8a,9,10,11,12,12a-octahydro-2-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]-, (8aS,12aR)-

Systematic Name

English

(8AS,12AR)-6,7,8A,9,10,11,12,12A-OCTAHYDRO-2-(4-(1-METHYLETHOXY)-2-(TRIFLUOROMETHYL)PHENYL)-5H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-EF)(1,5)BENZOXAZEPINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701028135