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

Systemtic Name: ethyl 2-[4-(azepan-1-yl)-5-bromanyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(azepan-1-yl)-5-bromo-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[4-(1-azepanyl)-5-bromo-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepan-1-yl)-5-bromo-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-(azepan-1-yl)-5-bromo-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C14H20BrN3O3 MolecularWeight: 358.2309

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=C(C=N1)N2CCCCCC2)Br

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)N2CCCCCC2)Br

InChI

InChI=1S/C14H20BrN3O3/c1-2-21-12(19)10-18-14(20)13(15)11(9-16-18)17-7-5-3-4-6-8-17/h9H,2-8,10H2,1H3