1-oxidanylidene-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: 1-oxidanylidene-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydroisochromene-6-carboxamide Openeye Name: 1-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)isochromane-6-carboxamide CAS Name: 1-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 1-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydroisochromene-6-carboxamide Traditional Name: 1-keto-3-phenyl-N-(1H-1,2,4-triazol-5-yl)isochroman-6-carboxamide Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O3/c23-16(21-18-19-10-20-22-18)12-6-7-14-13(8-12)9-15(25-17(14)24)11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H2,19,20,21,22,23)