U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C32H35N5O4
Molecular Weight 553.6514
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL (3Z)-2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-1H-INDOLE-6-CARBOXYLATE

SMILES

CCOC(=O)C1=CC2=C(C=C1)\C(C(=O)N2)=C(\NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)C5=CC=CC=C5

InChI

InChIKey=NWLAETZIQCOVOQ-FLWNBWAVSA-N
InChI=1S/C32H35N5O4/c1-4-41-32(40)23-10-15-26-27(20-23)34-31(39)29(26)30(22-8-6-5-7-9-22)33-24-11-13-25(14-12-24)36(3)28(38)21-37-18-16-35(2)17-19-37/h5-15,20,33H,4,16-19,21H2,1-3H3,(H,34,39)/b30-29-

HIDE SMILES / InChI

Molecular Formula C32H35N5O4
Molecular Weight 553.6514
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
J2KV5X64YA
Record Status Validated (UNII)
Record Version