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

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

Click to see the large picture

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