N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-nicotinoyl-piperazin-2-yl]acetamide Formula: C28H28N8O4 MolecularWeight: 540.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C28H28N8O4/c37-26(31-8-5-20-3-4-23-24(14-20)40-19-39-23)15-22-17-34(12-13-36(22)27(38)21-2-1-7-29-16-21)25-6-9-32-28(33-25)35-11-10-30-18-35/h1-4,6-7,9-11,14,16,18,22H,5,8,12-13,15,17,19H2,(H,31,37)