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Details

Stereochemistry ACHIRAL
Molecular Formula C32H36N5O4
Molecular Weight 554.6593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of 4-[2-[[4-[[(Z)-[1,2-Dihydro-6-(methoxycarbonyl)-2-oxo-3H-indol-3-ylidene]phenylmethyl]amino]phenyl]methylamino]-2-oxoethyl]-1,1-dimethylpiperazinium

SMILES

COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC3=CC=C(C=C3)N(C)C(=O)CN4CC[N+](C)(C)CC4)C5=CC=CC=C5)=C1

InChI

InChIKey=JWIPMAJFGHWXCD-UHFFFAOYSA-O
InChI=1S/C32H35N5O4/c1-35(28(38)21-36-16-18-37(2,3)19-17-36)25-13-11-24(12-14-25)33-30(22-8-6-5-7-9-22)29-26-15-10-23(32(40)41-4)20-27(26)34-31(29)39/h5-15,20H,16-19,21H2,1-4H3,(H-,33,34,39,40)/p+1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[2-[[4-[[(Z)-[1,2-Dihydro-6-(methoxycarbonyl)-2-oxo-3H-indol-3-ylidene]phenylmethyl]amino]phenyl]methylamino]-2-oxoethyl]-1,1-dimethylpiperazinium
Systematic Name English
Piperazinium, 4-[2-[[4-[[(Z)-[1,2-dihydro-6-(methoxycarbonyl)-2-oxo-3H-indol-3-ylidene]phenylmethyl]amino]phenyl]methylamino]-2-oxoethyl]-1,1-dimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
168429522
Created by admin on Sat Dec 16 19:48:55 GMT 2023 , Edited by admin on Sat Dec 16 19:48:55 GMT 2023
PRIMARY
FDA UNII
2R4JX8L2KS
Created by admin on Sat Dec 16 19:48:55 GMT 2023 , Edited by admin on Sat Dec 16 19:48:55 GMT 2023
PRIMARY
CAS
1799894-54-4
Created by admin on Sat Dec 16 19:48:55 GMT 2023 , Edited by admin on Sat Dec 16 19:48:55 GMT 2023
PRIMARY