3-[N-(2-cyanoethyl)-4-[[5-(3,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H23N3O2
Molecular Weight	397.469
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-[N-(2-cyanoethyl)-4-[[5-(3,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile

Structure Search

SMILES

CC1=C(C)C=C(C=C1)C2=CC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)O2

InChI

InChIKey=DIVCMGYQCTVIIS-CJLVFECKSA-N

InChI=1S/C25H23N3O2/c1-18-5-8-21(15-19(18)2)24-17-22(25(29)30-24)16-20-6-9-23(10-7-20)28(13-3-11-26)14-4-12-27/h5-10,15-17H,3-4,13-14H2,1-2H3/b22-16+

HIDE SMILES / InChI

Molecular Formula	C25H23N3O2
Molecular Weight	397.469
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 `Sat Dec 16 18:34:40 GMT 2023` Edited by `admin` on `Sat Dec 16 18:34:40 GMT 2023`
Record UNII	7TEX2737HB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[N-(2-cyanoethyl)-4-[[5-(3,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile

Systematic Name

English

Propanenitrile, 3,3′-[[4-[[5-(3,4-dimethylphenyl)-2-oxo-3(2H)-furanylidene]methyl]phenyl]imino]bis-

Systematic Name

English

3-[2-cyanoethyl-[4-[[5-(3,4-dimethylphenyl)-2-oxo-3-furylidene]methyl]phenyl]amino]propanenitrile

Systematic Name

English

NSC-339431

Code

English

3,3'-((4-((5-(3,4-DIMETHYLPHENYL)-2-OXO-3(2H)-FURANYLIDENE)METHYL)PHENYL)IMINO)BIS-, PROPANENITRILE

Common Name

English

Code System Code Type Description

PUBCHEM

6451087

Created by admin on Sat Dec 16 18:34:40 GMT 2023 , Edited by admin on Sat Dec 16 18:34:40 GMT 2023

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FDA UNII

7TEX2737HB

Created by admin on Sat Dec 16 18:34:40 GMT 2023 , Edited by admin on Sat Dec 16 18:34:40 GMT 2023

PRIMARY

CAS

89080-21-7

Created by admin on Sat Dec 16 18:34:40 GMT 2023 , Edited by admin on Sat Dec 16 18:34:40 GMT 2023

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NSC

339431

Created by admin on Sat Dec 16 18:34:40 GMT 2023 , Edited by admin on Sat Dec 16 18:34:40 GMT 2023

PRIMARY