methyl 2-[4-(azepan-1-yl)-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(azepan-1-yl)-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(azepan-1-yl)-5-chloro-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[4-(1-azepanyl)-5-chloro-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-yl)-5-chloro-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-(azepan-1-yl)-5-chloro-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C13H18ClN3O3 MolecularWeight: 299.75332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)N2CCCCCC2)Cl

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)N2CCCCCC2)Cl

InChI

InChI=1S/C13H18ClN3O3/c1-20-11(18)9-17-13(19)12(14)10(8-15-17)16-6-4-2-3-5-7-16/h8H,2-7,9H2,1H3