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

Systemtic Name: (E)-1-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-[4-(4-tert-butylphenyl)-2-pyrimidinyl]-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazino]but-2-en-1-one Formula: C22H28N4O MolecularWeight: 364.48392

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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O/c1-5-6-20(27)25-13-15-26(16-14-25)21-23-12-11-19(24-21)17-7-9-18(10-8-17)22(2,3)4/h5-12H,13-16H2,1-4H3/b6-5+