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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

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