3-(1H-indol-3-yl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-phenylpiperazino)acetyl]amino]-N-(3,4,5-trimethoxybenzyl)propionamide Formula: C33H39N5O5 MolecularWeight: 585.69326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C33H39N5O5/c1-41-29-17-23(18-30(42-2)32(29)43-3)20-35-33(40)28(19-24-21-34-27-12-8-7-11-26(24)27)36-31(39)22-37-13-15-38(16-14-37)25-9-5-4-6-10-25/h4-12,17-18,21,28,34H,13-16,19-20,22H2,1-3H3,(H,35,40)(H,36,39)