2-(4-propanoylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-propanoylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(4-propanoylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[4-(1-oxopropyl)phenoxy]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(4-propanoylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(4-propionylphenoxy)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O3/c1-2-20(28)18-5-7-19(8-6-18)30-17-21(29)23-11-4-12-26-13-15-27(16-14-26)22-24-9-3-10-25-22/h3,5-10H,2,4,11-17H2,1H3,(H,23,29)