2-(4-bromanylbutyl)-4-pyridin-3-yl-phthalazin-1-one

Systemtic Name: 2-(4-bromanylbutyl)-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 2-(4-bromobutyl)-4-(3-pyridyl)phthalazin-1-one CAS Name: 2-(4-bromobutyl)-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 2-(4-bromobutyl)-4-pyridin-3-ylphthalazin-1-one Traditional Name: 2-(4-bromobutyl)-4-(3-pyridyl)phthalazin-1-one Formula: C17H16BrN3O MolecularWeight: 358.23244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCCBr)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCCBr)C3=CN=CC=C3

InChI

InChI=1S/C17H16BrN3O/c18-9-3-4-11-21-17(22)15-8-2-1-7-14(15)16(20-21)13-6-5-10-19-12-13/h1-2,5-8,10,12H,3-4,9,11H2