2-(4-methylphenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-benzofuran-3-yl]ethanamide

Systemtic Name: 2-(4-methylphenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-benzofuran-3-yl]ethanamide Openeye Name: 2-(p-tolyl)-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzofuran-3-yl]acetamide CAS Name: 2-(4-methylphenyl)-N-[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-benzofuranyl]acetamide IUPAC Name: 2-(4-methylphenyl)-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide Traditional Name: 2-(p-tolyl)-N-[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzofuran-3-yl]acetamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H25N5O3/c1-18-7-9-19(10-8-18)17-22(32)29-23-20-5-2-3-6-21(20)34-24(23)25(33)30-13-15-31(16-14-30)26-27-11-4-12-28-26/h2-12H,13-17H2,1H3,(H,29,32)