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

Systemtic Name: (2S)-2-(5-bromanyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)-2-quinolin-2-yl-ethanenitrile Openeye Name: (2S)-2-(5-bromo-1-ethyl-6-oxo-pyridazin-4-yl)-2-(2-quinolyl)acetonitrile CAS Name: (2S)-2-(5-bromo-1-ethyl-6-oxo-4-pyridazinyl)-2-(2-quinolinyl)acetonitrile IUPAC Name: (2S)-2-(5-bromo-1-ethyl-6-oxopyridazin-4-yl)-2-quinolin-2-ylacetonitrile Traditional Name: (2S)-2-(5-bromo-1-ethyl-6-keto-pyridazin-4-yl)-2-(2-quinolyl)acetonitrile Formula: C17H13BrN4O MolecularWeight: 369.21532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCN1C(=O)C(=C(C=N1)[C@H](C#N)C2=NC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C17H13BrN4O/c1-2-22-17(23)16(18)13(10-20-22)12(9-19)15-8-7-11-5-3-4-6-14(11)21-15/h3-8,10,12H,2H2,1H3/t12-/m0/s1