3-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methylene]-1(3H)-Isobenzofuranone, (3E)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H21FN2O4
Molecular Weight	420.4329
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methylene]-1(3H)-Isobenzofuranone, (3E)-

Structure Search

SMILES

FC1=CC=C(\C=C2\OC(=O)C3=CC=CC=C23)C=C1C(=O)N4CCN(CC4)C(=O)C5CC5

InChI

InChIKey=JJMDUKXVRJKNDV-KGENOOAVSA-N

InChI=1S/C24H21FN2O4/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)24(30)31-21)13-19(20)23(29)27-11-9-26(10-12-27)22(28)16-6-7-16/h1-5,8,13-14,16H,6-7,9-12H2/b21-14+

HIDE SMILES / InChI

Molecular Formula	C24H21FN2O4
Molecular Weight	420.4329
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 `Wed Apr 02 17:42:49 GMT 2025` Edited by `admin` on `Wed Apr 02 17:42:49 GMT 2025`
Record UNII	V5KE2NK9EU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1(3H)-Isobenzofuranone, 3-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methylene]-, (3E)-

Preferred Name

English

3-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methylene]-1(3H)-Isobenzofuranone, (3E)-

Systematic Name

English

Code System Code Type Description

CAS

2905341-98-0

Created by admin on Wed Apr 02 17:42:49 GMT 2025 , Edited by admin on Wed Apr 02 17:42:49 GMT 2025

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FDA UNII

V5KE2NK9EU

Created by admin on Wed Apr 02 17:42:49 GMT 2025 , Edited by admin on Wed Apr 02 17:42:49 GMT 2025

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PUBCHEM

168429556

Created by admin on Wed Apr 02 17:42:49 GMT 2025 , Edited by admin on Wed Apr 02 17:42:49 GMT 2025

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