ethyl 3-isoquinolin-1-yl-5-oxidanylidene-1-(phenylcarbonyl)-1,2,4-triazole-4-carboxylate

Systemtic Name: ethyl 3-isoquinolin-1-yl-5-oxidanylidene-1-(phenylcarbonyl)-1,2,4-triazole-4-carboxylate Openeye Name: ethyl 1-benzoyl-3-(1-isoquinolyl)-5-oxo-1,2,4-triazole-4-carboxylate CAS Name: 1-benzoyl-3-(1-isoquinolinyl)-5-oxo-1,2,4-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzoyl-3-isoquinolin-1-yl-5-oxo-1,2,4-triazole-4-carboxylate Traditional Name: 1-benzoyl-3-(1-isoquinolyl)-5-keto-1,2,4-triazole-4-carboxylic acid ethyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=NN(C1=O)C(=O)C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1C(=NN(C1=O)C(=O)C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H16N4O4/c1-2-29-21(28)24-18(17-16-11-7-6-8-14(16)12-13-22-17)23-25(20(24)27)19(26)15-9-4-3-5-10-15/h3-13H,2H2,1H3