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

Systemtic Name: ethyl 1-[3-[5-oxidanylidene-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(4-allyloxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-[5-oxo-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-6-yl]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[5-oxo-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[3-(4-allyloxyphenyl)-5-keto-2H-1,2,4-triazin-6-yl]propanoyl]isonipecotic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C23H28N4O5/c1-3-15-32-18-7-5-16(6-8-18)21-24-22(29)19(25-26-21)9-10-20(28)27-13-11-17(12-14-27)23(30)31-4-2/h3,5-8,17H,1,4,9-15H2,2H3,(H,24,26,29)