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

Systemtic Name: 4-[[4-(4-cyclopentylcarbonylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]pyridin-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-[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=CC(=NC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

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

InChI

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