4-[[6-(4-cyclopentylcarbonylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[6-(4-cyclopentylcarbonylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[6-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[6-[[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[6-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]pyridin-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[6-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2-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/c31-23-20-10-4-3-9-19(20)22(27-28-23)16-18-8-5-11-21(26-18)25(33)30-14-12-29(13-15-30)24(32)17-6-1-2-7-17/h3-5,8-11,17H,1-2,6-7,12-16H2,(H,28,31)