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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-[2-[3-methyl-2,5-bis(oxidanylidene)piperazin-1-yl]ethanoylamino]propanamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(3-methyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]propanamide CAS Name: N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(3-methyl-2,5-dioxo-1-piperazinyl)-1-oxoethyl]amino]propanamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(3-methyl-2,5-dioxopiperazin-1-yl)acetyl]amino]propanamide Traditional Name: 2-[[2-(2,5-diketo-3-methyl-piperazino)acetyl]amino]-N-(2-ethoxybenzyl)-3-(1H-indol-3-yl)propionamide Formula: C27H31N5O5 MolecularWeight: 505.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C

InChI

InChI=1S/C27H31N5O5/c1-3-37-23-11-7-4-8-18(23)13-29-26(35)22(12-19-14-28-21-10-6-5-9-20(19)21)31-25(34)16-32-15-24(33)30-17(2)27(32)36/h4-11,14,17,22,28H,3,12-13,15-16H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)