2-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-isopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 2-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2/c1-14(2)26-18(27)16-7-4-3-6-15(16)17(23-26)19(28)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h3-9,14H,10-13H2,1-2H3