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

Systemtic Name: 2-[2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide Openeye Name: 2-[[2-(3-benzyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-(o-tolylmethyl)propanamide CAS Name: 2-[[2-[2,5-dioxo-3-(phenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide IUPAC Name: 2-[[2-(3-benzyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide Traditional Name: 2-[[2-(3-benzyl-2,5-diketo-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-(2-methylbenzyl)propionamide Formula: C33H35N5O4 MolecularWeight: 565.6621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C33H35N5O4/c1-22-10-6-7-13-24(22)19-37(2)32(41)29(17-25-18-34-27-15-9-8-14-26(25)27)36-31(40)21-38-20-30(39)35-28(33(38)42)16-23-11-4-3-5-12-23/h3-15,18,28-29,34H,16-17,19-21H2,1-2H3,(H,35,39)(H,36,40)