(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one

Systemtic Name: (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one Openeye Name: (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one CAS Name: (E)-5-[4-(2-pyrimidinyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-penten-3-one IUPAC Name: (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one Traditional Name: (E)-5-[4-(2-pyrimidyl)piperazino]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-28-19-15-17(16-20(29-2)21(19)30-3)5-6-18(27)7-10-25-11-13-26(14-12-25)22-23-8-4-9-24-22/h4-6,8-9,15-16H,7,10-14H2,1-3H3/b6-5+