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

Systemtic Name: 2-[2-[3-cyclohexyl-2,5-bis(oxidanylidene)piperazin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide Openeye Name: 2-[[2-(3-cyclohexyl-2,5-dioxo-piperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-(o-tolylmethyl)propanamide CAS Name: 2-[[2-(3-cyclohexyl-2,5-dioxo-1-piperazinyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide IUPAC Name: 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide Traditional Name: 2-[[2-(3-cyclohexyl-2,5-diketo-piperazino)acetyl]amino]-3-(1H-indol-3-yl)-N-(2-methylbenzyl)propionamide Formula: C31H37N5O4 MolecularWeight: 543.65658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CC(=O)NC(C4=O)C5CCCCC5

InChI

InChI=1S/C31H37N5O4/c1-20-9-5-6-12-22(20)16-33-30(39)26(15-23-17-32-25-14-8-7-13-24(23)25)34-27(37)18-36-19-28(38)35-29(31(36)40)21-10-3-2-4-11-21/h5-9,12-14,17,21,26,29,32H,2-4,10-11,15-16,18-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)