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

Systemtic Name: ethyl 1-[3-[5-oxidanylidene-3-(4-phenylmethoxyphenyl)-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(4-benzyloxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-[5-oxo-3-(4-phenylmethoxyphenyl)-2H-1,2,4-triazin-6-yl]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[5-oxo-3-(4-phenylmethoxyphenyl)-2H-1,2,4-triazin-6-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[3-(4-benzoxyphenyl)-5-keto-2H-1,2,4-triazin-6-yl]propanoyl]isonipecotic acid ethyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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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)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O5/c1-2-35-27(34)21-14-16-31(17-15-21)24(32)13-12-23-26(33)28-25(30-29-23)20-8-10-22(11-9-20)36-18-19-6-4-3-5-7-19/h3-11,21H,2,12-18H2,1H3,(H,28,30,33)