2-(4-fluoranylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-fluoranylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-fluorophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-fluorophenoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-fluorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-fluorophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27FN4O2 MolecularWeight: 386.463083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4O2/c1-14(2)20-23-15(3)13-19(24-20)25-9-11-26(12-10-25)21(27)16(4)28-18-7-5-17(22)6-8-18/h5-8,13-14,16H,9-12H2,1-4H3