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

Systemtic Name: ethyl 4-[3-[5-oxidanylidene-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-6-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[3-(4-allyloxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[5-oxo-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-6-yl]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[5-oxo-3-(4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-6-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(4-allyloxyphenyl)-5-keto-2H-1,2,4-triazin-6-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCC2=NNC(=NC2=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C22H27N5O5/c1-3-15-32-17-7-5-16(6-8-17)20-23-21(29)18(24-25-20)9-10-19(28)26-11-13-27(14-12-26)22(30)31-4-2/h3,5-8H,1,4,9-15H2,2H3,(H,23,25,29)