4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H22N6O2/c31-22-20-8-2-1-7-19(20)21(27-28-22)16-17-5-3-6-18(15-17)23(32)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h1-10,15H,11-14,16H2,(H,28,31)