2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide

Systemtic Name: 2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamide Openeye Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide CAS Name: 2-[4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide IUPAC Name: 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Traditional Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-nicotinoyl-piperazin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide Formula: C28H27ClN8O4 MolecularWeight: 575.01818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C28H27ClN8O4/c29-24-14-25(34-28(33-24)36-7-6-31-18-36)35-8-9-37(27(39)20-2-1-5-30-16-20)21(17-35)13-26(38)32-15-19-3-4-22-23(12-19)41-11-10-40-22/h1-7,12,14,16,18,21H,8-11,13,15,17H2,(H,32,38)