(2S)-2-(5-bromanyl-1-methyl-6-oxidanylidene-pyridazin-4-yl)-2-quinolin-2-yl-ethanenitrile

Systemtic Name: (2S)-2-(5-bromanyl-1-methyl-6-oxidanylidene-pyridazin-4-yl)-2-quinolin-2-yl-ethanenitrile Openeye Name: (2S)-2-(5-bromo-1-methyl-6-oxo-pyridazin-4-yl)-2-(2-quinolyl)acetonitrile CAS Name: (2S)-2-(5-bromo-1-methyl-6-oxo-4-pyridazinyl)-2-(2-quinolinyl)acetonitrile IUPAC Name: (2S)-2-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-2-quinolin-2-ylacetonitrile Traditional Name: (2S)-2-(5-bromo-6-keto-1-methyl-pyridazin-4-yl)-2-(2-quinolyl)acetonitrile Formula: C16H11BrN4O MolecularWeight: 355.18874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CN1C(=O)C(=C(C=N1)[C@H](C#N)C2=NC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C16H11BrN4O/c1-21-16(22)15(17)12(9-19-21)11(8-18)14-7-6-10-4-2-3-5-13(10)20-14/h2-7,9,11H,1H3/t11-/m0/s1