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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)-

SMILES

FC1=C(C=C(\C=C2\OC(=O)C3=CC=CC=C23)C=C1)C(=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

Approval Year

Name Type Language
3-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methylene]-1(3H)-Isobenzofuranone, (3E)-
Systematic Name English
1(3H)-Isobenzofuranone, 3-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methylene]-, (3E)-
Systematic Name English
Code System Code Type Description
CAS
2905341-98-0
Created by admin on Sat Dec 16 19:55:16 GMT 2023 , Edited by admin on Sat Dec 16 19:55:16 GMT 2023
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FDA UNII
V5KE2NK9EU
Created by admin on Sat Dec 16 19:55:16 GMT 2023 , Edited by admin on Sat Dec 16 19:55:16 GMT 2023
PRIMARY
PUBCHEM
168429556
Created by admin on Sat Dec 16 19:55:16 GMT 2023 , Edited by admin on Sat Dec 16 19:55:16 GMT 2023
PRIMARY