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

Systemtic Name: 2-[2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)piperazin-1-yl]ethanoylamino]-N-[(3,4-diethylphenyl)methyl]-3-(1H-indol-3-yl)-N-methyl-propanamide Openeye Name: 2-[[2-(3-benzyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-N-[(3,4-diethylphenyl)methyl]-3-(1H-indol-3-yl)-N-methyl-propanamide CAS Name: N-[(3,4-diethylphenyl)methyl]-2-[[2-[2,5-dioxo-3-(phenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide IUPAC Name: 2-[[2-(3-benzyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-N-[(3,4-diethylphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide Traditional Name: 2-[[2-(3-benzyl-2,5-diketo-piperazino)acetyl]amino]-N-(3,4-diethylbenzyl)-3-(1H-indol-3-yl)-N-methyl-propionamide Formula: C36H41N5O4 MolecularWeight: 607.74184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)CC5=CC=CC=C5)CC

InChI

InChI=1S/C36H41N5O4/c1-4-26-16-15-25(17-27(26)5-2)21-40(3)35(44)32(19-28-20-37-30-14-10-9-13-29(28)30)39-34(43)23-41-22-33(42)38-31(36(41)45)18-24-11-7-6-8-12-24/h6-17,20,31-32,37H,4-5,18-19,21-23H2,1-3H3,(H,38,42)(H,39,43)