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

Systemtic Name: 2-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-pentyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-pentyl-1-phthalazinone IUPAC Name: 2-pentyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-amyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O2/c1-2-3-6-12-28-20(29)18-9-5-4-8-17(18)19(25-28)21(30)26-13-15-27(16-14-26)22-23-10-7-11-24-22/h4-5,7-11H,2-3,6,12-16H2,1H3