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

Systemtic Name: 2-(5-bromanyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-quinolin-2-yl-ethanenitrile Openeye Name: 2-(5-bromo-6-oxo-1-phenyl-pyridazin-4-yl)-2-(2-quinolyl)acetonitrile CAS Name: 2-(5-bromo-6-oxo-1-phenyl-4-pyridazinyl)-2-(2-quinolinyl)acetonitrile IUPAC Name: 2-(5-bromo-6-oxo-1-phenylpyridazin-4-yl)-2-quinolin-2-ylacetonitrile Traditional Name: 2-(5-bromo-6-keto-1-phenyl-pyridazin-4-yl)-2-(2-quinolyl)acetonitrile Formula: C21H13BrN4O MolecularWeight: 417.25812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C(C#N)C3=NC4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C(C#N)C3=NC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C21H13BrN4O/c22-20-17(13-24-26(21(20)27)15-7-2-1-3-8-15)16(12-23)19-11-10-14-6-4-5-9-18(14)25-19/h1-11,13,16H