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

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H18BrN3O4/c1-2-7-24-20(26)13-6-4-3-5-12(13)18(23-24)19(25)22-15-11-17-16(10-14(15)21)27-8-9-28-17/h3-6,10-11H,2,7-9H2,1H3,(H,22,25)