2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Traditional Name: 2-[4-(2-pyrimidyl)piperazino]-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride Formula: C19H26Cl2N4O4 MolecularWeight: 445.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

InChI

InChI=1S/C19H24N4O4.2ClH/c1-25-16-11-14(12-17(26-2)18(16)27-3)15(24)13-22-7-9-23(10-8-22)19-20-5-4-6-21-19;;/h4-6,11-12H,7-10,13H2,1-3H3;2*1H