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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N4O3/c1-25-16-5-6-17(26-2)15(14-16)4-7-18(24)22-10-12-23(13-11-22)19-20-8-3-9-21-19/h3,5-6,8-9,14H,4,7,10-13H2,1-2H3