N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-keto-2H-isoquinoline-3-carboxamide Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C18H13BrN2O4/c19-12-8-15-16(25-6-5-24-15)9-13(12)20-18(23)14-7-10-3-1-2-4-11(10)17(22)21-14/h1-4,7-9H,5-6H2,(H,20,23)(H,21,22)