2-[2-[2,5-bis(oxidanylidene)-3-(phenylmethyl)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]methyl]propanamide Openeye Name: 2-[[2-(3-benzyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide CAS Name: 2-[[2-[2,5-dioxo-3-(phenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide IUPAC Name: 2-[[2-(3-benzyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide Traditional Name: 2-[[2-(3-benzyl-2,5-diketo-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[2-(trifluoromethyl)benzyl]propionamide Formula: C33H32F3N5O4 MolecularWeight: 619.63349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32F3N5O4/c1-40(18-22-11-5-7-13-25(22)33(34,35)36)31(44)28(16-23-17-37-26-14-8-6-12-24(23)26)39-30(43)20-41-19-29(42)38-27(32(41)45)15-21-9-3-2-4-10-21/h2-14,17,27-28,37H,15-16,18-20H2,1H3,(H,38,42)(H,39,43)