2-[5-chloranyl-4-(4-methylpiperidin-1-yl)-6-oxidanylidene-pyridazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-11-6-8-20(9-7-11)14-10-19-21(16(22)15(14)18)13-5-3-2-4-12(13)17(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24)