2-(1H-indol-3-ylmethyl)-4-[3-methyl-2,5-bis(oxidanylidene)piperazin-1-yl]-3-oxidanylidene-N-[(3,4,5-triethoxyphenyl)methyl]butanamide

Systemtic Name: 2-(1H-indol-3-ylmethyl)-4-[3-methyl-2,5-bis(oxidanylidene)piperazin-1-yl]-3-oxidanylidene-N-[(3,4,5-triethoxyphenyl)methyl]butanamide Openeye Name: 2-(1H-indol-3-ylmethyl)-4-(3-methyl-2,5-dioxo-piperazin-1-yl)-3-oxo-N-[(3,4,5-triethoxyphenyl)methyl]butanamide CAS Name: 2-(1H-indol-3-ylmethyl)-4-(3-methyl-2,5-dioxo-1-piperazinyl)-3-oxo-N-[(3,4,5-triethoxyphenyl)methyl]butanamide IUPAC Name: 2-(1H-indol-3-ylmethyl)-4-(3-methyl-2,5-dioxopiperazin-1-yl)-3-oxo-N-[(3,4,5-triethoxyphenyl)methyl]butanamide Traditional Name: 4-(2,5-diketo-3-methyl-piperazino)-2-(1H-indol-3-ylmethyl)-3-keto-N-(3,4,5-triethoxybenzyl)butyramide Formula: C31H38N4O7 MolecularWeight: 578.65602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C(CC2=CNC3=CC=CC=C32)C(=O)CN4CC(=O)NC(C4=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C(CC2=CNC3=CC=CC=C32)C(=O)CN4CC(=O)NC(C4=O)C

InChI

InChI=1S/C31H38N4O7/c1-5-40-26-12-20(13-27(41-6-2)29(26)42-7-3)15-33-30(38)23(14-21-16-32-24-11-9-8-10-22(21)24)25(36)17-35-18-28(37)34-19(4)31(35)39/h8-13,16,19,23,32H,5-7,14-15,17-18H2,1-4H3,(H,33,38)(H,34,37)