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

Systemtic Name: 1-[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate Openeye Name: 1-(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)piperidine-4-carboxylate CAS Name: 1-[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]-4-piperidinecarboxylate IUPAC Name: 1-(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)isonipecotate Formula: C16H17N4O3- MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3/c21-14-13(10-11-4-2-1-3-5-11)18-19-16(17-14)20-8-6-12(7-9-20)15(22)23/h1-5,12H,6-10H2,(H,22,23)(H,17,19,21)/p-1