ethyl 2-[5-bromanyl-4-[(S)-cyano(quinolin-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-bromanyl-4-[(S)-cyano(quinolin-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-bromo-4-[(S)-cyano(2-quinolyl)methyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[(S)-cyano(2-quinolinyl)methyl]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-4-[(S)-cyano(quinolin-2-yl)methyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-[(S)-cyano(2-quinolyl)methyl]-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C19H15BrN4O3 MolecularWeight: 427.2514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O3/c1-2-27-17(25)11-24-19(26)18(20)14(10-22-24)13(9-21)16-8-7-12-5-3-4-6-15(12)23-16/h3-8,10,13H,2,11H2,1H3/t13-/m0/s1