1-oxidanylidene-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: 1-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]isochromane-3-carboxamide CAS Name: 1-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 1-oxo-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]isochroman-3-carboxamide Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C17H13N5O3/c23-16(14-7-11-3-1-2-4-13(11)17(24)25-14)21-12-5-6-15(19-8-12)22-10-18-9-20-22/h1-6,8-10,14H,7H2,(H,21,23)