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

Systemtic Name: 2-[2-[2,5-bis(oxidanylidene)piperazin-1-yl]propanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide Openeye Name: 2-[2-(2,5-dioxopiperazin-1-yl)propanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-(o-tolylmethyl)propanamide CAS Name: 2-[[2-(2,5-dioxo-1-piperazinyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide IUPAC Name: 2-[2-(2,5-dioxopiperazin-1-yl)propanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide Traditional Name: 2-[2-(2,5-diketopiperazino)propanoylamino]-3-(1H-indol-3-yl)-N-methyl-N-(2-methylbenzyl)propionamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)N4CC(=O)NCC4=O

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)N4CC(=O)NCC4=O

InChI

InChI=1S/C27H31N5O4/c1-17-8-4-5-9-19(17)15-31(3)27(36)23(12-20-13-28-22-11-7-6-10-21(20)22)30-26(35)18(2)32-16-24(33)29-14-25(32)34/h4-11,13,18,23,28H,12,14-16H2,1-3H3,(H,29,33)(H,30,35)