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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H20BrN3O4/c1-2-3-8-25-21(27)14-7-5-4-6-13(14)19(24-25)20(26)23-16-12-18-17(11-15(16)22)28-9-10-29-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,23,26)