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

Systemtic Name: 4-[[4-(4-propanoylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-(4-propanoylpiperazine-1-carbonyl)-2-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[oxo-[4-(1-oxopropyl)-1-piperazinyl]methyl]-2-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-(4-propanoylpiperazine-1-carbonyl)pyridin-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-(4-propionylpiperazine-1-carbonyl)-2-pyridyl]methyl]-2H-phthalazin-1-one Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C(=O)C2=CC(=NC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCC(=O)N1CCN(CC1)C(=O)C2=CC(=NC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H23N5O3/c1-2-20(28)26-9-11-27(12-10-26)22(30)15-7-8-23-16(13-15)14-19-17-5-3-4-6-18(17)21(29)25-24-19/h3-8,13H,2,9-12,14H2,1H3,(H,25,29)