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

Systemtic Name: 2-[2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide Openeye Name: 2-[[2-(3-benzyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide CAS Name: 2-[[2-[2,5-dioxo-3-(phenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide IUPAC Name: 2-[[2-(3-benzyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide Traditional Name: 2-[[2-(3-benzyl-2,5-diketo-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-(3,4,5-trimethoxybenzyl)propionamide Formula: C34H37N5O7 MolecularWeight: 627.68688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H37N5O7/c1-44-28-14-22(15-29(45-2)32(28)46-3)17-36-33(42)26(16-23-18-35-25-12-8-7-11-24(23)25)37-30(40)19-39-20-31(41)38-27(34(39)43)13-21-9-5-4-6-10-21/h4-12,14-15,18,26-27,35H,13,16-17,19-20H2,1-3H3,(H,36,42)(H,37,40)(H,38,41)