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

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone dihydrochloride IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride Traditional Name: 3-[4-(2-pyrimidyl)piperazino]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride Formula: C20H28Cl2N4O4 MolecularWeight: 459.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

InChI

InChI=1S/C20H26N4O4.2ClH/c1-26-17-13-15(14-18(27-2)19(17)28-3)16(25)5-8-23-9-11-24(12-10-23)20-21-6-4-7-22-20;;/h4,6-7,13-14H,5,8-12H2,1-3H3;2*1H