(E)-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-[4-(4-phenoxyphenyl)-2-pyrimidinyl]-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-[4-(4-phenoxyphenyl)pyrimidin-2-yl]piperazino]but-2-en-1-one Formula: C24H24N4O2 MolecularWeight: 400.47296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C/C=C/C(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2/c1-2-6-23(29)27-15-17-28(18-16-27)24-25-14-13-22(26-24)19-9-11-21(12-10-19)30-20-7-4-3-5-8-20/h2-14H,15-18H2,1H3/b6-2+