(E)-2-(3-(1,1-DIMETHYL-1,3,4,5-TETRAHYDROBENZO(C)OXEPIN-3-YL)STYRYL)-7-CHLOROQUINOLINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H26ClNO
Molecular Weight	439.976
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (E)-2-(3-(1,1-DIMETHYL-1,3,4,5-TETRAHYDROBENZO(C)OXEPIN-3-YL)STYRYL)-7-CHLOROQUINOLINE

Structure Search

SMILES

CC1(C)OC(CCC2=CC=CC=C12)C3=CC=CC(\C=C\C4=NC5=C(C=CC(Cl)=C5)C=C4)=C3

InChI

InChIKey=LOMMSDDMLICVMB-XNTDXEJSSA-N

InChI=1S/C29H26ClNO/c1-29(2)26-9-4-3-7-21(26)13-17-28(32-29)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28H,13,17H2,1-2H3/b15-10+

HIDE SMILES / InChI

Molecular Formula	C29H26ClNO
Molecular Weight	439.976
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:12:24 GMT 2025` Edited by `admin` on `Wed Apr 02 07:12:24 GMT 2025`
Record UNII	3ZZT672H7X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUINOLINE, 7-CHLORO-2-((1E)-2-(3-(1,3,4,5-TETRAHYDRO-1,1-DIMETHYL-2-BENZOXEPIN-3-YL)PHENYL)ETHENYL)-

Preferred Name

English

(E)-2-(3-(1,1-DIMETHYL-1,3,4,5-TETRAHYDROBENZO(C)OXEPIN-3-YL)STYRYL)-7-CHLOROQUINOLINE

Systematic Name

English

Code System Code Type Description

CAS

1040351-42-5

Created by admin on Wed Apr 02 07:12:24 GMT 2025 , Edited by admin on Wed Apr 02 07:12:24 GMT 2025

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PUBCHEM

44224650

Created by admin on Wed Apr 02 07:12:24 GMT 2025 , Edited by admin on Wed Apr 02 07:12:24 GMT 2025

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FDA UNII

3ZZT672H7X

Created by admin on Wed Apr 02 07:12:24 GMT 2025 , Edited by admin on Wed Apr 02 07:12:24 GMT 2025

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