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

Systemtic Name: 4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H23N5O3/c29-21-18-4-2-1-3-17(18)19(25-26-21)13-15-7-8-24-20(14-15)23(31)28-11-9-27(10-12-28)22(30)16-5-6-16/h1-4,7-8,14,16H,5-6,9-13H2,(H,26,29)