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

Systemtic Name: 2-hexyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-hexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-hexyl-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-hexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-hexyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O2/c1-2-3-4-7-13-29-21(30)19-10-6-5-9-18(19)20(26-29)22(31)27-14-16-28(17-15-27)23-24-11-8-12-25-23/h5-6,8-12H,2-4,7,13-17H2,1H3