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

Systemtic Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[3-(4-ethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(5-keto-3-p-phenetyl-2H-1,2,4-triazin-6-yl)propanoyl]nipecotic 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)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C22H28N4O5/c1-3-30-17-9-7-15(8-10-17)20-23-21(28)18(24-25-20)11-12-19(27)26-13-5-6-16(14-26)22(29)31-4-2/h7-10,16H,3-6,11-14H2,1-2H3,(H,23,25,28)