4-[[2-[4-(phenylcarbonyl)piperazin-1-yl]carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[2-[4-(phenylcarbonyl)piperazin-1-yl]carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-(4-benzoylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[(4-benzoyl-1-piperazinyl)-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-(4-benzoylpiperazine-1-carbonyl)pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-(4-benzoylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H23N5O3/c32-24-21-9-5-4-8-20(21)22(28-29-24)16-18-10-11-27-23(17-18)26(34)31-14-12-30(13-15-31)25(33)19-6-2-1-3-7-19/h1-11,17H,12-16H2,(H,29,32)