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

Systemtic Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[3-(4-ethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(5-keto-3-p-phenetyl-2H-1,2,4-triazin-6-yl)propanoyl]isonipecotic acid ethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H28N4O5/c1-3-30-17-7-5-15(6-8-17)20-23-21(28)18(24-25-20)9-10-19(27)26-13-11-16(12-14-26)22(29)31-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,23,25,28)