diethyl 5-isoquinolin-1-yl-3-oxidanyl-3-phenyl-1,2,4-triazole-1,2-dicarboxylate

Systemtic Name: diethyl 5-isoquinolin-1-yl-3-oxidanyl-3-phenyl-1,2,4-triazole-1,2-dicarboxylate Openeye Name: diethyl 3-hydroxy-5-(1-isoquinolyl)-3-phenyl-1,2,4-triazole-1,2-dicarboxylate CAS Name: 3-hydroxy-5-(1-isoquinolinyl)-3-phenyl-1,2,4-triazole-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-hydroxy-5-isoquinolin-1-yl-3-phenyl-1,2,4-triazole-1,2-dicarboxylate Traditional Name: 3-hydroxy-5-(1-isoquinolyl)-3-phenyl-1,2,4-triazole-1,2-dicarboxylic acid diethyl ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=NC(N1C(=O)OCC)(C2=CC=CC=C2)O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1C(=NC(N1C(=O)OCC)(C2=CC=CC=C2)O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O5/c1-3-31-21(28)26-20(19-18-13-9-8-10-16(18)14-15-24-19)25-23(30,17-11-6-5-7-12-17)27(26)22(29)32-4-2/h5-15,30H,3-4H2,1-2H3