2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-(5-bromo-2-pyridyl)piperazino]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)C3=NC=C(C=C3)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)C3=NC=C(C=C3)Br)C

InChI

InChI=1S/C20H25BrN4O/c1-3-16-6-4-5-15(2)20(16)23-19(26)14-24-9-11-25(12-10-24)18-8-7-17(21)13-22-18/h4-8,13H,3,9-12,14H2,1-2H3,(H,23,26)