methyl 2-(5-chloranyl-6-oxidanylidene-4-piperidin-1-yl-pyridazin-1-yl)benzoate

Systemtic Name: methyl 2-(5-chloranyl-6-oxidanylidene-4-piperidin-1-yl-pyridazin-1-yl)benzoate Openeye Name: methyl 2-[5-chloro-6-oxo-4-(1-piperidyl)pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-6-oxo-4-(1-piperidinyl)-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)benzoate Traditional Name: 2-(5-chloro-6-keto-4-piperidino-pyridazin-1-yl)benzoic acid methyl ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCCCC3)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-24-17(23)12-7-3-4-8-13(12)21-16(22)15(18)14(11-19-21)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3