6-(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-propyl-phenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione

Systemtic Name: 6-(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-propyl-phenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione Openeye Name: 6-(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-propyl-phenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione CAS Name: 6-(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-propylphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione IUPAC Name: 6-(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-propylphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione Traditional Name: 6-(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-propyl-phenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-quinone Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)O2)OCC)OC

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)O2)OCC)OC

InChI

InChI=1S/C22H21ClN4O5/c1-4-6-13-11-16(18(31-5-2)12-17(13)30-3)19-25-27-21(32-19)24-20(28)26(22(27)29)15-9-7-14(23)8-10-15/h7-12H,4-6H2,1-3H3