4-(3-bromanylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-bromanylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-bromophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-bromophenoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-bromophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-bromophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]butan-1-one Formula: C22H29BrN4O2 MolecularWeight: 461.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H29BrN4O2/c1-16(2)22-24-17(3)14-20(25-22)26-9-11-27(12-10-26)21(28)8-5-13-29-19-7-4-6-18(23)15-19/h4,6-7,14-16H,5,8-13H2,1-3H3