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

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

Isomeric SMILES

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

InChI

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