2-(3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)PROPYL)-5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOL-3-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H32ClN5O2
Molecular Weight	470.007
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)PROPYL)-5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOL-3-ONE

Structure Search

SMILES

CCC1=NN(CCCN2CCN(CC2)C3=CC=C(Cl)C=C3)C(=O)N1CCOC4=CC=CC=C4

InChI

InChIKey=KKDNGYSAVOQOFY-UHFFFAOYSA-N

InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)19-20-33-23-7-4-3-5-8-23)14-6-13-28-15-17-29(18-16-28)22-11-9-21(26)10-12-22/h3-5,7-12H,2,6,13-20H2,1H3

HIDE SMILES / InChI

Molecular Formula	C25H32ClN5O2
Molecular Weight	470.007
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 `Sat Dec 16 09:53:41 GMT 2023` Edited by `admin` on `Sat Dec 16 09:53:41 GMT 2023`
Record UNII	BC0L9204TG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)PROPYL)-5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOL-3-ONE

Systematic Name

English

NEFAZODONE 4-CHLORO ISOMER

Common Name

English

NEFAZODONE RELATED COMPOUND B FREE BASE

Common Name

English

NEFAZODONE PARA-CHLORO ISOMER

Common Name

English

Code System Code Type Description

FDA UNII

BC0L9204TG

Created by admin on Sat Dec 16 09:53:41 GMT 2023 , Edited by admin on Sat Dec 16 09:53:41 GMT 2023

PRIMARY

PUBCHEM

76958220

Created by admin on Sat Dec 16 09:53:41 GMT 2023 , Edited by admin on Sat Dec 16 09:53:41 GMT 2023

PRIMARY

Related Record Type Details


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NEFAZODONE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: