1-[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-oxo-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-keto-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]isonipecotic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H18N4O3/c1-10-2-4-11(5-3-10)13-14(21)17-16(19-18-13)20-8-6-12(7-9-20)15(22)23/h2-5,12H,6-9H2,1H3,(H,22,23)(H,17,19,21)