2-[[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazino]methyl]phthalazin-1-one Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)N3C=CC=CC3=N2)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)N3C=CC=CC3=N2)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C22H22N6O2/c29-21-13-18(24-20-7-3-4-8-27(20)21)15-25-9-11-26(12-10-25)16-28-22(30)19-6-2-1-5-17(19)14-23-28/h1-8,13-14H,9-12,15-16H2