3-(1H-indol-3-yl)-2-[2-(4-piperidin-1-ylpiperidin-1-yl)ethanoylamino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-piperidin-1-ylpiperidin-1-yl)ethanoylamino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-2-[[2-[4-(1-piperidyl)-1-piperidyl]acetyl]amino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]amino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]-N-[(3,4,5-triethoxyphenyl)methyl]propanamide Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-piperidinopiperidino)acetyl]amino]-N-(3,4,5-triethoxybenzyl)propionamide Formula: C36H51N5O5 MolecularWeight: 633.82064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(CC4)N5CCCCC5

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C36H51N5O5/c1-4-44-32-20-26(21-33(45-5-2)35(32)46-6-3)23-38-36(43)31(22-27-24-37-30-13-9-8-12-29(27)30)39-34(42)25-40-18-14-28(15-19-40)41-16-10-7-11-17-41/h8-9,12-13,20-21,24,28,31,37H,4-7,10-11,14-19,22-23,25H2,1-3H3,(H,38,43)(H,39,42)