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

Systemtic Name: 2-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-butyl-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-butyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-butyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C21H24N6O2 MolecularWeight: 392.45426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O2/c1-2-3-11-27-19(28)17-8-5-4-7-16(17)18(24-27)20(29)25-12-14-26(15-13-25)21-22-9-6-10-23-21/h4-10H,2-3,11-15H2,1H3