3-((BUTYLAMINO)METHYLENE)-1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17N3O2
Molecular Weight	259.3037
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((BUTYLAMINO)METHYLENE)-1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE

Structure Search

SMILES

CCCCNC=C1C(=O)NC2=C(NC1=O)C=CC=C2

InChI

InChIKey=XJFLBWXJPVBIRE-UHFFFAOYSA-N

InChI=1S/C14H17N3O2/c1-2-3-8-15-9-10-13(18)16-11-6-4-5-7-12(11)17-14(10)19/h4-7,9,15H,2-3,8H2,1H3,(H,16,18)(H,17,19)

HIDE SMILES / InChI

Molecular Formula	C14H17N3O2
Molecular Weight	259.3037
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:35:34 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:34 GMT 2025`
Record UNII	QS03WS73M5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-377138

Preferred Name

English

3-((BUTYLAMINO)METHYLENE)-1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE

Systematic Name

English

1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE, 3-((BUTYLAMINO)METHYLENE)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10230972

Created by admin on Tue Apr 01 19:35:34 GMT 2025 , Edited by admin on Tue Apr 01 19:35:34 GMT 2025

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PUBCHEM

342060

Created by admin on Tue Apr 01 19:35:34 GMT 2025 , Edited by admin on Tue Apr 01 19:35:34 GMT 2025

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NSC

377138

Created by admin on Tue Apr 01 19:35:34 GMT 2025 , Edited by admin on Tue Apr 01 19:35:34 GMT 2025

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CAS

81225-96-9

Created by admin on Tue Apr 01 19:35:34 GMT 2025 , Edited by admin on Tue Apr 01 19:35:34 GMT 2025

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FDA UNII

QS03WS73M5

Created by admin on Tue Apr 01 19:35:34 GMT 2025 , Edited by admin on Tue Apr 01 19:35:34 GMT 2025

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