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

Systemtic Name: 2-methyl-4-[[4-(2-methylpropyl)-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]carbonyl]phthalazin-1-one Openeye Name: 4-[4-isobutyl-3-oxo-6-(3-pyridylmethoxy)-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[[4-(2-methylpropyl)-3-oxo-6-(3-pyridinylmethoxy)-1,4-diazepan-1-yl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(2-methylpropyl)-3-oxo-6-(pyridin-3-ylmethoxy)-1,4-diazepane-1-carbonyl]phthalazin-1-one Traditional Name: 4-[4-isobutyl-3-keto-6-(3-pyridylmethoxy)-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC4=CN=CC=C4

InChI

InChI=1S/C25H29N5O4/c1-17(2)12-29-13-19(34-16-18-7-6-10-26-11-18)14-30(15-22(29)31)25(33)23-20-8-4-5-9-21(20)24(32)28(3)27-23/h4-11,17,19H,12-16H2,1-3H3