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

Systemtic Name: ethyl 2-[5-bromanyl-4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-bromo-4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[cyano-(1-ethyl-2-benzimidazolyl)methyl]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)CC(=O)OCC)Br

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)CC(=O)OCC)Br

InChI

InChI=1S/C19H18BrN5O3/c1-3-24-15-8-6-5-7-14(15)23-18(24)12(9-21)13-10-22-25(19(27)17(13)20)11-16(26)28-4-2/h5-8,10,12H,3-4,11H2,1-2H3