1-[1-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-chloro-4-methyl-phenyl)-6-oxo-pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-chloro-4-methylphenyl)-6-oxo-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-chloro-4-methyl-phenyl)-6-keto-pyridazin-3-yl]isonipecotic acid Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCC(CC3)C(=O)O)Cl

InChI

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