4-BENZOYL-4-(2-CYANOETHYL)HEPTANEDINITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17N3O
Molecular Weight	279.3364
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-BENZOYL-4-(2-CYANOETHYL)HEPTANEDINITRILE

Structure Search

SMILES

O=C(C1=CC=CC=C1)C(CCC#N)(CCC#N)CCC#N

InChI

InChIKey=CJSOIFOTLJQHEY-UHFFFAOYSA-N

InChI=1S/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2

HIDE SMILES / InChI

Molecular Formula	C17H17N3O
Molecular Weight	279.3364
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 `Tue Apr 01 19:37:59 GMT 2025` Edited by `admin` on `Tue Apr 01 19:37:59 GMT 2025`
Record UNII	BN8DCS3ZXM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-3685

Preferred Name

English

4-BENZOYL-4-(2-CYANOETHYL)HEPTANEDINITRILE

Systematic Name

English

TRIS(CYANOETHYL)ACETOPHENONE

Common Name

English

HEPTANEDINITRILE, 4-BENZOYL-4-(2-CYANOETHYL)- (6CI,9CI)

Systematic Name

English

PROPIONITRILE, 3,3',3''-PHENACYLIDYNETRI-

Systematic Name

English

NSC-405546

Code

English

Code System Code Type Description

EPA CompTox

DTXSID10201586

Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025

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NSC

405546

Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025

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FDA UNII

BN8DCS3ZXM

Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025

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PUBCHEM

94805

Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025

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NSC

3685

Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025

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CAS

5342-96-1

Created by admin on Tue Apr 01 19:37:59 GMT 2025 , Edited by admin on Tue Apr 01 19:37:59 GMT 2025

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