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

Systemtic Name: methyl 2-[5-bromanyl-4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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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)OC)Br

Isomeric SMILES

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

InChI

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