3-(1H-indol-3-yl)-2-[2-[3-methyl-2,5-bis(oxidanylidene)piperazin-1-yl]ethanoylamino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-[3-methyl-2,5-bis(oxidanylidene)piperazin-1-yl]ethanoylamino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(3-methyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide CAS Name: 3-(1H-indol-3-yl)-2-[[2-(3-methyl-2,5-dioxo-1-piperazinyl)-1-oxoethyl]amino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(3-methyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide Traditional Name: 2-[[2-(2,5-diketo-3-methyl-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-(3,4,5-triethoxybenzyl)propionamide Formula: C31H39N5O7 MolecularWeight: 593.67066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C

InChI

InChI=1S/C31H39N5O7/c1-5-41-25-12-20(13-26(42-6-2)29(25)43-7-3)15-33-30(39)24(14-21-16-32-23-11-9-8-10-22(21)23)35-28(38)18-36-17-27(37)34-19(4)31(36)40/h8-13,16,19,24,32H,5-7,14-15,17-18H2,1-4H3,(H,33,39)(H,34,37)(H,35,38)