N-[(3-fluorophenyl)methyl]-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-(2-thienyl)phenoxy]acetamide CAS Name: N-[(3-fluorophenyl)methyl]-2-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-(3-fluorobenzyl)-2-[2-[[4-(2-pyrimidyl)piperazino]methyl]-4-(2-thienyl)phenoxy]acetamide Formula: C28H28FN5O2S MolecularWeight: 517.617623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NCC4=CC(=CC=C4)F)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NCC4=CC(=CC=C4)F)C5=NC=CC=N5

InChI

InChI=1S/C28H28FN5O2S/c29-24-5-1-4-21(16-24)18-32-27(35)20-36-25-8-7-22(26-6-2-15-37-26)17-23(25)19-33-11-13-34(14-12-33)28-30-9-3-10-31-28/h1-10,15-17H,11-14,18-20H2,(H,32,35)