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

Systemtic Name: 4-methyl-2-[2-[4-(2-methylpropyl)-3-oxidanylidene-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-isobutyl-3-oxo-6-(2-pyridylmethoxy)-1,4-diazepan-1-yl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[2-[4-(2-methylpropyl)-3-oxo-6-(2-pyridinylmethoxy)-1,4-diazepan-1-yl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-[4-(2-methylpropyl)-3-oxo-6-(pyridin-2-ylmethoxy)-1,4-diazepan-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[4-isobutyl-3-keto-6-(2-pyridylmethoxy)-1,4-diazepan-1-yl]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CC(CN(C(=O)C3)CC(C)C)OCC4=CC=CC=N4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CC(CN(C(=O)C3)CC(C)C)OCC4=CC=CC=N4

InChI

InChI=1S/C26H31N5O4/c1-18(2)12-29-13-21(35-17-20-8-6-7-11-27-20)14-30(15-24(29)32)25(33)16-31-26(34)23-10-5-4-9-22(23)19(3)28-31/h4-11,18,21H,12-17H2,1-3H3