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

Systemtic Name: 2-[2-[2,5-bis(oxidanylidene)piperazin-1-yl]propanoylamino]-3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide Openeye Name: 2-[2-(2,5-dioxopiperazin-1-yl)propanoylamino]-3-(1H-indol-3-yl)-N-(o-tolylmethyl)propanamide CAS Name: 2-[[2-(2,5-dioxo-1-piperazinyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide IUPAC Name: 2-[2-(2,5-dioxopiperazin-1-yl)propanoylamino]-3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide Traditional Name: 2-[2-(2,5-diketopiperazino)propanoylamino]-3-(1H-indol-3-yl)-N-(2-methylbenzyl)propionamide Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)N4CC(=O)NCC4=O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)N4CC(=O)NCC4=O

InChI

InChI=1S/C26H29N5O4/c1-16-7-3-4-8-18(16)12-29-26(35)22(11-19-13-27-21-10-6-5-9-20(19)21)30-25(34)17(2)31-15-23(32)28-14-24(31)33/h3-10,13,17,22,27H,11-12,14-15H2,1-2H3,(H,28,32)(H,29,35)(H,30,34)