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

Systemtic Name: 4-[[2-(4-cyclopentylcarbonylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H27N5O3/c31-23-20-8-4-3-7-19(20)21(27-28-23)15-17-9-10-26-22(16-17)25(33)30-13-11-29(12-14-30)24(32)18-5-1-2-6-18/h3-4,7-10,16,18H,1-2,5-6,11-15H2,(H,28,31)