2-(2-bromanyl-4,5-diethoxy-phenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4,5-diethoxy-phenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4,5-diethoxy-phenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-bromo-4,5-diethoxyphenyl)-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4,5-diethoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4,5-diethoxy-phenyl)-1-(4-pyrazin-2-ylpiperazino)ethanone Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=NC=CN=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)C3=NC=CN=C3)Br)OCC

InChI

InChI=1S/C20H25BrN4O3/c1-3-27-17-11-15(16(21)13-18(17)28-4-2)12-20(26)25-9-7-24(8-10-25)19-14-22-5-6-23-19/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3