2-[2-[3-cyclohexyl-2,5-bis(oxidanylidene)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-[[3,4,5-tris(chloranyl)phenyl]methyl]propanamide

Systemtic Name: 2-[2-[3-cyclohexyl-2,5-bis(oxidanylidene)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-[[3,4,5-tris(chloranyl)phenyl]methyl]propanamide Openeye Name: 2-[[2-(3-cyclohexyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(3,4,5-trichlorophenyl)methyl]propanamide CAS Name: 2-[[2-(3-cyclohexyl-2,5-dioxo-1-piperazinyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(3,4,5-trichlorophenyl)methyl]propanamide IUPAC Name: 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(3,4,5-trichlorophenyl)methyl]propanamide Traditional Name: 2-[[2-(3-cyclohexyl-2,5-diketo-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-(3,4,5-trichlorobenzyl)propionamide Formula: C31H34Cl3N5O4 MolecularWeight: 646.99176

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C(=C1)Cl)Cl)Cl)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C5CCCCC5

Isomeric SMILES

CN(CC1=CC(=C(C(=C1)Cl)Cl)Cl)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C5CCCCC5

InChI

InChI=1S/C31H34Cl3N5O4/c1-38(15-18-11-22(32)28(34)23(33)12-18)30(42)25(13-20-14-35-24-10-6-5-9-21(20)24)36-26(40)16-39-17-27(41)37-29(31(39)43)19-7-3-2-4-8-19/h5-6,9-12,14,19,25,29,35H,2-4,7-8,13,15-17H2,1H3,(H,36,40)(H,37,41)