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

Systemtic Name: methyl 2-[5-bromanyl-4-[cyano-(1-methylbenzimidazol-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H14BrN5O3 MolecularWeight: 416.22876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)CC(=O)OC)Br

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)CC(=O)OC)Br

InChI

InChI=1S/C17H14BrN5O3/c1-22-13-6-4-3-5-12(13)21-16(22)10(7-19)11-8-20-23(9-14(24)26-2)17(25)15(11)18/h3-6,8,10H,9H2,1-2H3