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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C18H14BrN3O4/c1-22-18(24)11-5-3-2-4-10(11)16(21-22)17(23)20-13-9-15-14(8-12(13)19)25-6-7-26-15/h2-5,8-9H,6-7H2,1H3,(H,20,23)