methyl 2-[5-chloranyl-6-oxidanylidene-4-(4-oxidanylpiperidin-1-yl)pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-(4-oxidanylpiperidin-1-yl)pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-(4-hydroxy-1-piperidyl)-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-(4-hydroxy-1-piperidinyl)-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-(4-hydroxypiperidin-1-yl)-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-(4-hydroxypiperidino)-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCC(CC3)O)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCC(CC3)O)Cl

InChI

InChI=1S/C17H18ClN3O4/c1-25-17(24)12-4-2-3-5-13(12)21-16(23)15(18)14(10-19-21)20-8-6-11(22)7-9-20/h2-5,10-11,22H,6-9H2,1H3