N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-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-yl-6-propan-2-yl-pyrimidin-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-yl-6-isopropyl-pyrimidin-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)-6-propan-2-yl-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-yl-6-propan-2-ylpyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-nicotinoyl-piperazin-2-yl]acetamide Formula: C31H34N8O4 MolecularWeight: 582.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C31H34N8O4/c1-21(2)25-16-28(36-31(35-25)38-11-10-33-19-38)37-12-13-39(30(41)23-4-3-8-32-17-23)24(18-37)15-29(40)34-9-7-22-5-6-26-27(14-22)43-20-42-26/h3-6,8,10-11,14,16-17,19,21,24H,7,9,12-13,15,18,20H2,1-2H3,(H,34,40)