5-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)-1-(4-propoxyphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)-1-(4-propoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)-1-(4-propoxyphenyl)triazole-4-carboxamide CAS Name: 5-methyl-N-(3-oxo-1H-isobenzofuran-5-yl)-1-(4-propoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-methyl-N-(3-oxo-1H-2-benzofuran-5-yl)-1-(4-propoxyphenyl)triazole-4-carboxamide Traditional Name: N-(3-ketophthalan-5-yl)-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC4=C(COC4=O)C=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC4=C(COC4=O)C=C3)C

InChI

InChI=1S/C21H20N4O4/c1-3-10-28-17-8-6-16(7-9-17)25-13(2)19(23-24-25)20(26)22-15-5-4-14-12-29-21(27)18(14)11-15/h4-9,11H,3,10,12H2,1-2H3,(H,22,26)