2-[2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-[(3,4,5-trimethylphenyl)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-trimethylphenyl)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-trimethylphenyl)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-trimethylphenyl)methyl]propanamide IUPAC Name: 2-[[2-(3-benzyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-[(3,4,5-trimethylphenyl)methyl]propanamide Traditional Name: 2-[[2-(3-benzyl-2,5-diketo-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-(3,4,5-trimethylbenzyl)propionamide Formula: C34H37N5O4 MolecularWeight: 579.68868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1C)C)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H37N5O4/c1-21-13-25(14-22(2)23(21)3)17-36-33(42)29(16-26-18-35-28-12-8-7-11-27(26)28)37-31(40)19-39-20-32(41)38-30(34(39)43)15-24-9-5-4-6-10-24/h4-14,18,29-30,35H,15-17,19-20H2,1-3H3,(H,36,42)(H,37,40)(H,38,41)