1-[6-(3,4-dimethylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-(3,4-dimethylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(3,4-dimethylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3,4-dimethylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]-4-piperidinecarboxylate IUPAC Name: 1-[6-(3,4-dimethylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3,4-dimethylphenyl)-5-keto-2H-1,2,4-triazin-3-yl]isonipecotate Formula: C17H19N4O3- MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)N3CCC(CC3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=NC2=O)N3CCC(CC3)C(=O)[O-])C

InChI

InChI=1S/C17H20N4O3/c1-10-3-4-13(9-11(10)2)14-15(22)18-17(20-19-14)21-7-5-12(6-8-21)16(23)24/h3-4,9,12H,5-8H2,1-2H3,(H,23,24)(H,18,20,22)/p-1