4-(4-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 4-(p-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phthalazin-1-one Traditional Name: 4-(p-tolyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]phthalazin-1-one Formula: C24H24N6O MolecularWeight: 412.48696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H24N6O/c1-18-7-9-19(10-8-18)22-20-5-2-3-6-21(20)23(31)30(27-22)17-28-13-15-29(16-14-28)24-25-11-4-12-26-24/h2-12H,13-17H2,1H3