N-(1,3-dihydro-2-benzofuran-5-yl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-(1,3-dihydro-2-benzofuran-5-yl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-(1,3-dihydroisobenzofuran-5-yl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-(2-thienyl)phenoxy]acetamide CAS Name: N-(1,3-dihydroisobenzofuran-5-yl)-2-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-(1,3-dihydro-2-benzofuran-5-yl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-phthalan-5-yl-2-[2-[[4-(2-pyrimidyl)piperazino]methyl]-4-(2-thienyl)phenoxy]acetamide Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NC4=CC5=C(COC5)C=C4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NC4=CC5=C(COC5)C=C4)C6=NC=CC=N6

InChI

InChI=1S/C29H29N5O3S/c35-28(32-25-6-4-22-18-36-19-24(22)16-25)20-37-26-7-5-21(27-3-1-14-38-27)15-23(26)17-33-10-12-34(13-11-33)29-30-8-2-9-31-29/h1-9,14-16H,10-13,17-20H2,(H,32,35)