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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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