3-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H28N4O MolecularWeight: 352.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-21(2,3)18-8-5-17(6-9-18)7-10-19(26)24-13-15-25(16-14-24)20-22-11-4-12-23-20/h4-6,8-9,11-12H,7,10,13-16H2,1-3H3