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

Systemtic Name: 4-[[6-(4-cyclohexylcarbonylpiperazin-1-yl)carbonylpyridin-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[6-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-2-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[6-[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[6-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]pyridin-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[6-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-2-pyridyl]methyl]-2H-phthalazin-1-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3=NC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3=NC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H29N5O3/c32-24-21-11-5-4-10-20(21)23(28-29-24)17-19-9-6-12-22(27-19)26(34)31-15-13-30(14-16-31)25(33)18-7-2-1-3-8-18/h4-6,9-12,18H,1-3,7-8,13-17H2,(H,29,32)