5-[2-[2-Chloro-4-(2-phenyldiazenyl)phenyl]diazenyl]-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinecarbonitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H31ClN8O2
Molecular Weight	535.04
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 5-[2-[2-Chloro-4-(2-phenyldiazenyl)phenyl]diazenyl]-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinecarbonitrile

Structure Search

SMILES

COCCCNC1=NC(NCCCOC)=C(\N=N\C2=CC=C(C=C2Cl)\N=N\C3=CC=CC=C3)C(C)=C1C#N

InChI

InChIKey=XBRHSBAEGUSQAN-WXBFSDFVSA-N

InChI=1S/C27H31ClN8O2/c1-19-22(18-29)26(30-13-7-15-37-2)32-27(31-14-8-16-38-3)25(19)36-35-24-12-11-21(17-23(24)28)34-33-20-9-5-4-6-10-20/h4-6,9-12,17H,7-8,13-16H2,1-3H3,(H2,30,31,32)/b34-33+,36-35+

HIDE SMILES / InChI

Molecular Formula	C27H31ClN8O2
Molecular Weight	535.04
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:55:49 GMT 2023` Edited by `admin` on `Sat Dec 16 11:55:49 GMT 2023`
Record UNII	6X9XK4VWE2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-[2-[2-Chloro-4-(2-phenyldiazenyl)phenyl]diazenyl]-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinecarbonitrile

Systematic Name

English

3-Pyridinecarbonitrile, 5-[[2-chloro-4-(phenylazo)phenyl]azo]-2,6-bis[(3-methoxypropyl)amino]-4-methyl-

Systematic Name

English

3-Pyridinecarbonitrile, 5-[2-[2-chloro-4-(2-phenyldiazenyl)phenyl]diazenyl]-2,6-bis[(3-methoxypropyl)amino]-4-methyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7072917

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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FDA UNII

6X9XK4VWE2

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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CAS

85392-21-8

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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ECHA (EC/EINECS)

286-879-3

Created by admin on Sat Dec 16 11:55:49 GMT 2023 , Edited by admin on Sat Dec 16 11:55:49 GMT 2023

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