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

Systemtic Name: ethyl 2-[5-bromanyl-4-[cyano-(1-methylbenzimidazol-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-bromo-4-[cyano-(1-methylbenzimidazol-2-yl)methyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[cyano-(1-methyl-2-benzimidazolyl)methyl]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-4-[cyano-(1-methylbenzimidazol-2-yl)methyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-[cyano-(1-methylbenzimidazol-2-yl)methyl]-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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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=C3N2C)Br

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3N2C)Br

InChI

InChI=1S/C18H16BrN5O3/c1-3-27-15(25)10-24-18(26)16(19)12(9-21-24)11(8-20)17-22-13-6-4-5-7-14(13)23(17)2/h4-7,9,11H,3,10H2,1-2H3