4-[[4-cyclohexyl-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[4-cyclohexyl-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-cyclohexyl-3-oxo-6-(2-pyridylmethoxy)-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-cyclohexyl-3-oxo-6-(2-pyridinylmethoxy)-1,4-diazepan-1-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-cyclohexyl-3-oxo-6-(pyridin-2-ylmethoxy)-1,4-diazepane-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-cyclohexyl-3-keto-6-(2-pyridylmethoxy)-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CC=CC=N5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CC=CC=N5

InChI

InChI=1S/C27H31N5O4/c1-30-26(34)23-13-6-5-12-22(23)25(29-30)27(35)31-15-21(36-18-19-9-7-8-14-28-19)16-32(24(33)17-31)20-10-3-2-4-11-20/h5-9,12-14,20-21H,2-4,10-11,15-18H2,1H3