10-(2-DIMETHYLAMINOETHYL)-7-(TRIFLUOROMETHYL)-(5H)-DIBENZO(B,E)(1,4)DIAZEPIN-11(10H)ONE MALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18F3N3O.C4H4O4
Molecular Weight	465.4224
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 10-(2-DIMETHYLAMINOETHYL)-7-(TRIFLUOROMETHYL)-(5H)-DIBENZO(B,E)(1,4)DIAZEPIN-11(10H)ONE MALEATE

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CCN1C2=CC=C(C=C2NC3=C(C=CC=C3)C1=O)C(F)(F)F

InChI

InChIKey=KNELLNRQCZEXBT-BTJKTKAUSA-N

InChI=1S/C18H18F3N3O.C4H4O4/c1-23(2)9-10-24-16-8-7-12(18(19,20)21)11-15(16)22-14-6-4-3-5-13(14)17(24)25;5-3(6)1-2-4(7)8/h3-8,11,22H,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C18H18F3N3O
Molecular Weight	349.3502
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 `Mon Mar 31 17:53:43 GMT 2025` Edited by `admin` on `Mon Mar 31 17:53:43 GMT 2025`
Record UNII	NPI6LZ96ML
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11H-DIBENZO(B,E)(1,4)DIAZEPIN-11-ONE, 10-(2-(DIMETHYLAMINO)ETHYL)-5,10-DIHYDRO-7-(TRIFLUOROMETHYL)-, 2-BUTENEDIOATE (1:1)

Preferred Name

English

10-(2-DIMETHYLAMINOETHYL)-7-(TRIFLUOROMETHYL)-(5H)-DIBENZO(B,E)(1,4)DIAZEPIN-11(10H)ONE MALEATE

Systematic Name

English

Code System Code Type Description

FDA UNII

NPI6LZ96ML

Created by admin on Mon Mar 31 17:53:43 GMT 2025 , Edited by admin on Mon Mar 31 17:53:43 GMT 2025

PRIMARY

PUBCHEM

155929080

Created by admin on Mon Mar 31 17:53:43 GMT 2025 , Edited by admin on Mon Mar 31 17:53:43 GMT 2025

PRIMARY

CAS

1785663-15-1

Created by admin on Mon Mar 31 17:53:43 GMT 2025 , Edited by admin on Mon Mar 31 17:53:43 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

Related Record Type Details


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10-(2-(DIMETHYLAMINO)ETHYL)-5,10-DIHYDRO-7-(TRIFLUOROMETHYL)-11H-DIBENZO(B,E)(1,4)DIAZEPIN-11-ONE

PARENT -> SALT/SOLVATE